input word = C00031239

Metabolite InformationStructural formula
Name Rubianol g
Formula C30H46O4
Mw 470.33960996
CAS RN 468732-43-6
C_ID C00031239 ,
InChIKey LKBSFVITHXLCDA-NLKLWAIINA-N
InChICode InChI=1S/C30H46O4/c1-17(2)19-14-21(33)25-29(7)11-8-18-24(28(29,6)12-13-30(19,25)16-31)20(32)15-22-26(3,4)23(34)9-10-27(18,22)5/h8-10,17,19-22,24-25,31-33H,11-16H2,1-7H3/t19-,20-,21+,22-,24-,25+,27-,28-,29+,30+/m0/s1
SMILES CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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