input word = C00008933

Metabolite InformationStructural formula
Name Gambiriin B3
Formula C30H26O11
Mw 562.14751167
CAS RN 76236-90-3
C_ID C00008933 ,
InChIKey FFCVTFZKQFEUKL-SFJDFZSENA-N
InChICode InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2/t23-,25+,27-,30+/m0/s1
SMILES Oc1cc(O)c(C[C@H]2Oc3cc4c(c(O)c3[C@H]2c2ccc(O)c(O)c2)C[C@H](O)[C@@H](c2ccc(O)c(O)c2)O4)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSanguisorba officinalis Ref.
PlantaeRubiaceaeUncaria gambir Ref.
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