Mol:FL7AAGGL0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 40 0 0 0 0 0 0 0 0999 V2000 0.0330 -0.8250 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -0.4125 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 -0.8251 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 0.4126 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 -0.4124 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 -1.6502 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 0.8252 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 0.8251 -2.5962 O 0 3 0 0 0 6 0 0 0 0 0 0 -2.1107 0.4127 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -0.8250 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 -2.0627 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.6502 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 0.4127 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 0.8252 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -1.6501 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 -0.4125 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 -2.8878 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 2.0627 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 0.8251 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 0.4127 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 1.6503 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 2.8878 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2543 0.8252 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 2.0628 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 0.4126 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 -1.6264 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 -1.0966 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8794 -0.5141 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 -1.1833 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 -0.9710 2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -1.1833 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -0.5141 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 -0.7264 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 -0.5328 2.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9331 -0.1964 2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 -0.7268 2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 4 8 2 0 5 9 2 0 5 10 1 0 6 11 2 0 7 12 1 0 7 13 2 0 8 9 1 0 9 14 1 0 10 15 1 0 10 16 2 0 11 15 1 0 11 17 1 0 12 18 2 0 13 19 1 0 14 20 2 0 16 20 1 0 18 21 1 0 18 22 1 0 19 21 2 0 20 23 1 0 21 24 1 0 19 25 1 0 28 29 1 0 29 30 1 1 30 31 1 1 32 31 1 1 32 33 1 0 33 28 1 0 28 34 1 0 33 35 1 0 31 27 1 0 32 36 1 0 26 27 1 0 1 29 1 0 M CHG 1 8 1 S SKP 9 AUTODRAW FALSE ID FL7AAGGL0076 KNApSAcK_ID NAME Pyranodelphinin B CAS_RN 294845-04-8 FORMULA C24H23O12 EXACTMASS 503.1189512 AVERAGEMASS 503.43222 SMILES OCC(O1)C(O)C(O)C(O)C1Oc(c2c(c5)cc(O)c(O)c(O)5)c(C=4)c(c3OC(C)4)c(cc(O)c3)[o+1]2 M END