input word = C00039461

Metabolite InformationStructural formula
Name Itoside B
(-)-Itoside B
Formula C34H32O13
Mw 648.18429111
CAS RN 1000069-98-6
C_ID C00039461 ,
InChIKey QGZFGXHSODHGAW-HSEURISLNA-N
InChICode InChI=1S/C34H32O13/c35-23-14-15-24(22(17-23)18-44-33(41)34(42)16-8-7-13-26(34)36)45-32-29(47-31(40)21-11-5-2-6-12-21)28(38)27(37)25(46-32)19-43-30(39)20-9-3-1-4-10-20/h1-6,8-12,14-17,25,27-29,32,35,37-38,42H,7,13,18-19H2/t25-,27-,28+,29-,32-,34+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)c1ccccc1)Oc1c(cc(cc1)O)COC(=O)[C@@]1(C=CCCC1=O)O)OC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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