input word = C00054175

Metabolite InformationStructural formula
Name Albigenic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 664-40-4
C_ID C00054175
InChIKey YKOPWPOFWMYZJZ-PRIAQAIDSA-N
InChICode InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)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)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)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
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeCampanulaceae/LobeliaceaeCodonopsis lanceolata Ref.
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OrganismCodonopsis lanceolata
ReferenceBarua, A.K. et al., Tetrahedron, 1959, 7, 19 (isol)