input word = C00050373

Metabolite InformationStructural formula
Name Krukovine B
(+)-Krukovine B
Formula C30H46O3
Mw 454.34469533
CAS RN 184092-59-9
C_ID C00050373 ,
InChIKey CTTJSWLTAZKFDV-UXEMRDMBNA-N
InChICode InChI=1S/C30H46O3/c1-18-8-13-30(17-31)15-14-28(6)20(24(30)19(18)2)16-21(32)25-27(5)11-10-23(33)26(3,4)22(27)9-12-29(25,28)7/h16,18-19,22,24-25,31H,8-15,17H2,1-7H3/t18-,19+,22+,24+,25-,27+,28-,29-,30-/m1/s1
SMILES C[C@H]1[C@H](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]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus krukovii Ref.
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