input word = C00057354

Metabolite InformationStructural formula
Name (20S)-Protopanaxatriol
Formula C30H52O4
Mw 476.38656015
CAS RN 34080-08-5
C_ID C00057354
InChIKey SHCBCKBYTHZQGZ-CJPZEJHVSA-N
InChICode InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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OrganismPanax japonicus
ReferenceUvarova, N.I. et al., Chem. Nat. Compd. (Engl. Transl.), 1965, 1, 63-66 (Panaxosides)