input word = C00042980

Metabolite InformationStructural formula
Name Scortechinone S
(-)-Scortechinone S
Formula C35H44O11
Mw 640.28836225
CAS RN 863024-44-6
C_ID C00042980 ,
InChIKey URNSFYRCKOZPSO-MQKGLUQYNA-N
InChICode InChI=1S/C35H44O11/c1-15(2)19(36)13-18-24(37)21-25(38)22-28(42-9)33(43-10)14-20-32(7,8)46-34(30(33)41,12-11-16(3)29(39)40)35(20,22)45-27(21)23-26(18)44-17(4)31(23,5)6/h11,17,19-20,22,28,36-37H,1,12-14H2,2-10H3,(H,39,40)/b16-11-/t17-,19+,20+,22-,28-,33-,34+,35+/m0/s1
SMILES C=C(C)C(O)Cc1c(O)c2c(c3c1O[C@@H](C)C3(C)C)OC13[C@@H]4C[C@@](OC)(C(=O)[C@@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](OC)[C@@H]3C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia scortechinii Ref.
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