input word = C00029820

Metabolite InformationStructural formula
Name beta-Peltoboykinolic acid
3beta-Hydroxyolean-12-en-27-oic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 24778-48-1
C_ID C00029820 ,
InChIKey QGOSJBZFTWGWDU-XMHRDYHANA-N
InChICode InChI=1S/C30H48O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27+,28-,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
PlantaeSaxifragaceaeAstilbe chinensis Ref.
PlantaeSaxifragaceaeChrysosplenium nudicaule Ref.
PlantaeSaxifragaceaePeltoboykinia watanabii Ref.
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OrganismChrysosplenium nudicaule
ReferenceYang, et al., NPRD, 16, (2004), 294