Mol:FL7ACIGL0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6016 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6016 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6016 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6016 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8871 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8871 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1727 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1727 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1727 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1727 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8871 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8871 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5418 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5418 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2563 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2563 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2563 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2563 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5418 1.6588 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.5418 1.6588 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | -2.2205 1.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2205 1.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9223 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9223 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6367 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6367 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3512 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3512 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3512 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3512 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6367 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6367 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9223 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9223 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9853 2.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9853 2.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8871 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8871 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9098 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9098 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0094 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0094 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6367 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6367 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2681 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2681 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6562 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6562 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8544 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8433 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8433 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6685 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6685 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8774 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8774 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4639 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4639 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6387 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6387 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4298 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4298 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8422 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8422 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3655 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3655 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0278 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2229 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2229 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3512 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3512 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1226 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1226 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2974 -3.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2974 -3.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9465 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9465 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3585 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3585 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1823 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1823 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5948 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5948 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4198 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4198 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8323 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8323 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4198 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4198 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5948 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5948 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6562 -3.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6562 -3.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | 11 25 1 0 0 0 0 | + | 11 25 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
− | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
− | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
− | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
− | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
− | 44 47 1 0 0 0 0 | + | 44 47 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7ACIGL0002 | + | ID FL7ACIGL0002 |
− | KNApSAcK_ID C00014875 | + | KNApSAcK_ID C00014875 |
− | NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside | + | NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside |
− | CAS_RN 623571-84-6 | + | CAS_RN 623571-84-6 |
− | FORMULA C33H33O14 | + | FORMULA C33H33O14 |
− | EXACTMASS 653.187030764 | + | EXACTMASS 653.187030764 |
− | AVERAGEMASS 653.60672 | + | AVERAGEMASS 653.60672 |
− | SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC | + | SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -1.6016 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 1.6588 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -2.2205 1.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 2.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -2.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2229 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2974 -3.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5948 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8323 -3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5948 -3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -3.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 3 19 1 0 0 0 0 12 9 1 0 0 0 0 8 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 11 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 20 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 8 ID FL7ACIGL0002 KNApSAcK_ID C00014875 NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside CAS_RN 623571-84-6 FORMULA C33H33O14 EXACTMASS 653.187030764 AVERAGEMASS 653.60672 SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC M END