input word = C00045451

Metabolite InformationStructural formula
Name Xanthanthusin G
(+)-Xanthanthusin G
Formula C27H36O9
Mw 504.23593275
CAS RN 436142-40-4
C_ID C00045451 ,
InChIKey QIAMFIJMBWZPBO-WXCPJLOBNA-N
InChICode InChI=1S/C27H36O9/c1-12(2)34-13(3)9-17-20(30)18-19(24(21(17)31)36-15(5)29)27(8)11-16(35-14(4)28)10-26(6,7)25(27)23(33)22(18)32/h12-13,16,30-31,33H,9-11H2,1-8H3/t13-,16-,27+/m0/s1
SMILES CC(=O)Oc1c(O)c(CC(C)OC(C)C)c(O)c2c1[C@@]1(C)C[C@@H](OC(C)=O)CC(C)(C)C1=C(O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeColeus xanthanthus Ref.
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OrganismColeus xanthanthus
ReferenceMei,J.Nat.Prod.,65,(2002),634