input word = C00009181

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->8)-[7,8-dihydro-8-(2,4-dihydroxyphenyl)-7-hydroxy-6-(3,4,5-trihydroxyphenyl)-6H-pyrano[2,3-f]catechin]
Formula C45H38O18
Mw 866.20581441
CAS RN 152675-37-1
C_ID C00009181 ,
InChIKey NCGZMTZZXZBFMM-CKNCZNCMNA-N
InChICode InChI=1S/C45H38O18/c46-18-2-4-20(24(49)12-18)32-34-38(58)35(33-21-5-3-19(47)13-31(21)61-42(40(33)60)16-8-26(51)36(56)27(52)9-16)44-22(14-30(55)41(62-44)15-1-6-23(48)25(50)7-15)45(34)63-43(39(32)59)17-10-28(53)37(57)29(54)11-17/h1-13,30,32-33,39-43,46-60H,14H2/t30-,32-,33-,39-,40-,41-,42+,43+/m0/s1
SMILES Oc1ccc([C@H]2c3c(O)c(C4c5ccc(O)cc5O[C@H](c5cc(O)c(O)c(O)c5)[C@H]4O)c4c(c3O[C@H](c3cc(O)c(O)c(O)c3)[C@H]2O)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
PlantaeFabaceaeAcacia mearnsii Ref.
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