input word = C00030121

Metabolite InformationStructural formula
Name Desoxymorellin
Formula C33H38O6
Mw 530.26683895
CAS RN 1064-34-2
C_ID C00030121 ,
InChIKey VZQQLPACAVHZQT-MUBLJRCHNA-N
InChICode InChI=1S/C33H38O6/c1-17(2)9-10-21-27-20(12-13-30(5,6)37-27)25(34)24-26(35)22-15-19-16-23-31(7,8)39-32(29(19)36,14-11-18(3)4)33(22,23)38-28(21)24/h9,11-13,15,19,23,34H,10,14,16H2,1-8H3/t19-,23+,32+,33-/m1/s1
SMILES CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(CC=C(C)C)C5=O)C3=O)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia dulcis Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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