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@H]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC(=O)[C@H]2[C@]1(CC[C@@H]1[C@@]2(CCC(=O)C1(C)C)C)C)C)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus krukovii Ref.
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