input word = C00040093

Metabolite InformationStructural formula
Name pseudolaric acid A O-beta-D-glucopyranoside
Formula C28H38O11
Mw 550.24141206
CAS RN 98891-44-2
C_ID C00040093 ,
InChIKey IVYWRYGMQNKDQB-MLDSOEAKNA-N
InChICode InChI=1S/C28H38O11/c1-15-7-11-27-12-9-19(28(27,13-8-15)38-17(3)30)26(4,39-25(27)35)10-5-6-16(2)23(34)37-24-22(33)21(32)20(31)18(14-29)36-24/h5-7,10,18-22,24,29,31-33H,8-9,11-14H2,1-4H3/b10-5+,16-6+/t18-,19+,20-,21+,22-,24+,26-,27-,28+/m1/s1
SMILES CC(=O)O[C@]12CCC(C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(C)C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudolarix kaempferi Ref.
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