input word = C00031648

Metabolite InformationStructural formula
Name Canthic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 23423-86-1
C_ID C00031648 ,
InChIKey URLUTFGAMDECHO-OAXNFCDVNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)8-9-20-27(5)11-10-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22-,23-,27+,28+,29-,30-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@]([C@H](C2)O)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeNewbouldia laevis Ref.
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OrganismNewbouldia laevis
ReferenceEyong,Chem.Pharm.Bull.,53,(2005),616