input word = C00045048

Metabolite InformationStructural formula
Name Rubiarbonone C
Formula C32H50O5
Mw 514.36582471
CAS RN 246511-26-2
C_ID C00045048 ,
InChIKey ICPKCPHJNFFEEO-LKGQREFPNA-N
InChICode InChI=1S/C32H50O5/c1-18(2)21-16-25(36)31(9)30(8)13-10-20-26(29(30,7)14-15-32(21,31)37-19(3)33)22(34)17-23-27(4,5)24(35)11-12-28(20,23)6/h10,18,21-23,25-26,34,36H,11-17H2,1-9H3/t21-,22-,23+,25+,26-,28+,29-,30-,31+,32+/m0/s1
SMILES C1[C@H]([C@]2([C@]([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)OC(=O)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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OrganismRubia yunnanensis
ReferenceMorikawa,J.Nat.Prod.,66,(2003),638