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 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)C[C@H](C(=C)C)O)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia scortechinii Ref.
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