input word = C00055001

Metabolite InformationStructural formula
Name Carissic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 121467-37-6
C_ID C00055001
InChIKey WCGUUGGRBIKTOS-AHWPIGJASA-N
InChICode InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES C[C@@H]1[C@@H](C)CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@@]21[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCarissa carandas Ref.
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