input word = C00045066

Metabolite InformationStructural formula
Name Scortechinone K
(-)-Scortechinone K
Formula C34H40O10
Mw 608.2621475
CAS RN 577980-22-4
C_ID C00045066 ,
InChIKey NSXJYXNANXQGCY-OYNAVPLINA-N
InChICode InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+/t18-,22+,33+,34-/m0/s1
SMILES c12c(c(c3c(c1C([C@@H](O2)C)(C)C)O[C@@]12C(=CC(=O)C[C@@H]1C(O[C@@]2(C(=O)OC)C/C=C(/C(=O)O)\C)(C)C)C3=O)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia scortechinii Ref.
PlantaeRubiaceaeGardenia scortechinii Ref.
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OrganismGardenia scortechinii
ReferenceRukachaisirikul, et al., Planta Med, 71, (2005), 165