input word = C00041805

Metabolite InformationStructural formula
Name Rupestrin B
(+)-Rupestrin B
Formula C32H36O17
Mw 692.19524973
CAS RN 880360-48-5
C_ID C00041805 ,
InChIKey QOIOXLKARYNOJQ-IWMQOGTGNA-N
InChICode InChI=1S/C32H36O17/c1-43-16-8-13-7-15-21(19(12-3-5-14(35)6-4-12)20(13)27(44-2)23(16)37)30(42)47-28-24(38)18(10-45-29(15)41)48-32(28,11-34)49-31-26(40)25(39)22(36)17(9-33)46-31/h3-8,17-19,21-22,24-26,28,31,33-40H,9-11H2,1-2H3/t17-,18-,19+,21+,22-,24-,25+,26-,28?,31-,32+/m1/s1
SMILES COc1cc2c(c(OC)c1O)[C@H](c1ccc(O)cc1)[C@H]1C(=O)O[C@H]3[C@H](O)[C@@H](COC(=O)C1=C2)O[C@@]3(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeEritrichium rupestre Ref.
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OrganismEritrichium rupestre
ReferenceSuo,J.Nat.Prod.,69,(2006),682