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 C1(=O)[C@]2([C@H]([C@H]3[C@]4([C@@]1(OC([C@H]4C2)(C)C)C/C=C(/C)\C(=O)O)Oc1c(C3=O)c(c(c2c1C([C@@H](O2)C)(C)C)CC=C(C)C)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia scortechinii Ref.
PlantaeRubiaceaeGardenia scortechinii Ref.
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