input word = C00042974

Metabolite InformationStructural formula
Name Scortechinone I
(+)-Scortechinone I
Formula C35H44O10
Mw 624.29344763
CAS RN 577980-20-2
C_ID C00042974 ,
InChIKey WLNGEHPSYXBRGK-KOCQLVJKNA-N
InChICode InChI=1S/C35H44O10/c1-16(2)11-12-19-24(36)21-25(37)22-28(41-9)33(42-10)15-20-32(7,8)45-34(30(33)40,14-13-17(3)29(38)39)35(20,22)44-27(21)23-26(19)43-18(4)31(23,5)6/h11,13,18,20,22,28,36H,12,14-15H2,1-10H3,(H,38,39)/b17-13-/t18-,20+,22-,28-,33-,34+,35+/m0/s1
SMILES CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3OC23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(/C)C(=O)O)OC2(C)C)C(C)(C)[C@H](C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia scortechinii Ref.
PlantaeRubiaceaeGardenia scortechinii Ref.
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