input word = C00032606

Metabolite InformationStructural formula
Name 1beta,3beta,5alpha,23,24-Pentahydroxy-30-norolean-12,20(29)-dien-28-oic acid
(+)-1beta,3beta,5alpha,23,24-Pentahydroxy-30-norolean-12,20(29)-dien-28-oic acid
Formula C29H44O8
Mw 520.30361838
CAS RN 314282-88-7
C_ID C00032606 ,
InChIKey QNGKJIVXPKRSAZ-KKFUNGGMNA-N
InChICode InChI=1S/C29H44O7/c1-17-7-8-27(23(34)35)11-9-24(2)18(19(27)13-17)5-6-20-25(24,3)10-12-29(36)26(20,4)21(32)14-22(33)28(29,15-30)16-31/h5,19-22,30-33,36H,1,6-16H2,2-4H3,(H,34,35)/t19-,20-,21+,22-,24+,25+,26-,27-,29-/m0/s1
SMILES C1(=C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@]1([C@@]3([C@@H](C[C@@H](C1(CO)CO)O)O)C)O)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia emodi Ref.
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OrganismPaeonia emodi
ReferenceNawaz,Chem.Pharm.Bull.,48,(2000),1771