input word = C00046361

Metabolite InformationStructural formula
Name Rubiarbonone D
(+)-Rubiarbonone D
Formula C30H48O3
Mw 456.3603454
CAS RN 468732-39-0
C_ID C00046361 ,
InChIKey GJCFGYOIXLZELH-JQSSYFLDNA-N
InChICode InChI=1S/C30H48O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-22,24-25,31-32H,10-16H2,1-8H3/t19-,20-,21+,22+,24-,25-,27+,28-,29-,30+/m0/s1
SMILES C1[C@H]([C@]2([C@H]([C@@H]1O)[C@@]1([C@@](CC2)([C@H]2C(=CC1)[C@@]1([C@H](C[C@@H]2O)C(C(=O)CC1)(C)C)C)C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
zoom in