input word = C00054728

Metabolite InformationStructural formula
Name Charantadiol A
Formula C30H46O3
Mw 454.34469533
CAS RN 1220890-23-2
C_ID C00054728
InChIKey SOYAGUJRHLJJFJ-FBEBMSKOSA-N
InChICode InChI=1S/C30H46O3/c1-19(2)9-8-10-20(3)21-13-15-28(7)22-14-16-30-23(11-12-24(31)26(30,4)5)29(22,25(32)33-30)18-17-27(21,28)6/h8-9,14,16,20-25,31-32H,1,10-13,15,17-18H2,2-7H3/b9-8+/t20-,21-,22+,23+,24+,25-,27-,28+,29+,30-/m1/s1
SMILES CC1(C)[C@@H](O)CC[C@@]2([H])[C@]34[C@@]([C@@](CC[C@@]5([C@H](C)C/C=C/C(C)=C)[H])(C)[C@]5(C)CC4)([H])C=C[C@]12O[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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