input word = C00030553

Metabolite InformationStructural formula
Name Isotubocaposigenin
(-)-Isotubocaposigenin
Formula C30H44O6
Mw 500.31378914
CAS RN 929701-99-5
C_ID C00030553 ,
InChIKey OAPQFNQRPKMUIF-OJDNGOSRNA-N
InChICode InChI=1S/C30H44O6/c1-16(31)35-25-13-18(32)12-17-6-7-19-21-8-9-22(28(21,3)11-10-23(19)29(17,25)4)20-14-27(2)15-24(20)36-26(33)30(27,5)34/h6,18-25,32,34H,7-15H2,1-5H3/t18-,19+,20+,21+,22-,23+,24-,25+,27-,28+,29+,30-/m1/s1
SMILES CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H]5C[C@]6(C)C[C@H]5OC(=O)[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeTubocapsicum anomalum MAKINO Ref.
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