input word = C00050372

Metabolite InformationStructural formula
Name Krukovine A
(+)-Krukovine A
Formula C30H46O3
Mw 454.34469533
CAS RN 184092-58-8
C_ID C00050372 ,
InChIKey QJCHSXDOPDGBSN-GILLCJKWNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)12-14-30(18-31)15-13-28(6)19(20(30)17-25)16-21(32)24-27(5)10-9-23(33)26(3,4)22(27)8-11-29(24,28)7/h16,20,22,24,31H,8-15,17-18H2,1-7H3/t20-,22-,24+,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus krukovii Ref.
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