input word = C00031237

Metabolite InformationStructural formula
Name Rubianol d
(+)-Rubianol d
Formula C32H52O6
Mw 532.37638939
CAS RN 551930-36-0
C_ID C00031237 ,
InChIKey JBMKRBYWTDYYDW-PETGIKFUNA-N
InChICode InChI=1S/C32H52O6/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/h9,17,20-27,34-37H,10-16H2,1-8H3/t20-,21-,22+,23+,24+,25-,26+,27-,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@H](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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