input word = C00064121

Metabolite InformationStructural formula
Name Albizinin
Formula C27H32O17
Mw 628.1639496
CAS RN 202069-28-1
C_ID C00064121
InChIKey VFEYSSLJKRGMAH-RCQOEAOESA-N
InChICode InChI=1S/C27H32O17/c1-38-15-5-11(6-16(39-2)18(15)30)24(36)40-9-27(37)10-41-26(22(27)33)44-21-20(32)19(31)17(8-28)43-25(21)42-12-3-4-14(29)13(7-12)23(34)35/h3-7,17,19-22,25-26,28-33,37H,8-10H2,1-2H3,(H,34,35)/t17-,19-,20+,21-,22+,25-,26+,27-/m1/s1
SMILES COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(O)c(C(=O)O)c4)OC(CO)C(O)C3O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia lebbeck Ref.
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OrganismAlbizia lebbeck
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.