input word = C00040094

Metabolite InformationStructural formula
Name Pseudolaric acid B O-beta-D-glucopyranoside
Formula C29H38O13
Mw 594.2312413
CAS RN 98891-41-9
C_ID C00040094 ,
InChIKey UUDZDKPKXAEKLA-CEKALHTDNA-N
InChICode InChI=1S/C29H38O13/c1-15(23(35)40-25-22(34)21(33)20(32)18(14-30)39-25)6-5-10-27(3)19-9-12-28(26(37)42-27)11-7-17(24(36)38-4)8-13-29(19,28)41-16(2)31/h5-7,10,18-22,25,30,32-34H,8-9,11-14H2,1-4H3/b10-5+,15-6+/t18-,19+,20+,21+,22-,25+,27-,28-,29+/m1/s1
SMILES C1(=O)O[C@@]([C@H]2[C@@]3([C@]1(CC=C(CC3)C(=O)OC)CC2)OC(=O)C)(/C=C/C=C(/C(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudolarix kaempferi Ref.
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