input word = C00034063

Metabolite InformationStructural formula
Name Moronic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 6713-27-5
C_ID C00034063 ,
InChIKey UMYJVVZWBKIXQQ-KWHJBNLMNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)C1=CC(CC[C@@]1(CC2)C(=O)O)(C)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeMalpighiaceaeAcridocarpus vivy Ref.
PlantaeXyridaceaeXyris pteygoblephara Ref.
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OrganismCalendula officinalis
ReferenceYOSHIKAWA, et al., Chem Pharm Bull, 49, (2001), 863