input word = C00030340

Metabolite InformationStructural formula
Name Gambiriin A2
Formula C30H28O12
Mw 580.15807636
CAS RN 76250-48-1
C_ID C00030340 ,
InChIKey AAOPKIFUFWCDQZ-OFWIBVMKNA-N
InChICode InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27-,29-/m0/s1
SMILES Oc1cc(O)c(C[C@H](O)[C@H](c2ccc(O)c(O)c2)c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria gambir Ref.
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OrganismUncaria gambir
ReferenceTaniguchi,Chem.Pharm.Bull.,55,(2007),268