input word = C00051388

Metabolite InformationStructural formula
Name Machaerinic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 25763-71-7
C_ID C00051388
InChIKey YUOODWLAFWYITC-REKOBXILNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,24(33)34)17-23(25)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,27-,28+,29+,30+/m0/s1
SMILES CC1(C)C[C@H]2C3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(OC=O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
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OrganismCalendula officinalis
ReferenceYOSHIKAWA, et al., Chem Pharm Bull, 49, (2001), 863