input word = C00051318

Metabolite InformationStructural formula
Name Longispinogenin
Formula C30H50O3
Mw 458.37599546
CAS RN 465-94-1
C_ID C00051318
InChIKey YHGVYECWZWIVJC-CSMLDIHCNA-N
InChICode InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(CO)[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
PlantaeApiaceaeBupleurum chinense Ref.
PlantaeAsteraceaeCalendula officinalis Ref.
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