input word = C00031235

Metabolite InformationStructural formula
Name Rubianol b
Formula C32H50O6
Mw 530.36073933
CAS RN 551930-32-6
C_ID C00031235 ,
InChIKey IWIVDUNOLOIWLV-ZKMCHNNANA-N
InChICode InChI=1S/C32H50O6/c1-17(2)20-13-22(35)26-31(8)10-9-19-25(30(31,7)11-12-32(20,26)16-38-18(3)33)21(34)14-24-28(4,5)27(37)23(36)15-29(19,24)6/h9,17,20-26,34-36H,10-16H2,1-8H3/t20-,21-,22+,23+,24+,25-,26+,29+,30-,31+,32+/m0/s1
SMILES CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1C[C@@H]4O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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OrganismRubia yunnanensis
ReferenceTao,Chem.Pharm.Bull.,51,(2003),654