input word = C00055856

Metabolite InformationStructural formula
Name Gambogic aldehyde
Formula C38H44O7
Mw 612.30870376
CAS RN 1160699-31-9
C_ID C00055856
InChIKey YXSZBHIMOCJKSF-VSLJVYANSA-N
InChICode InChI=1S/C38H44O7/c1-21(2)10-9-15-36(8)16-14-25-30(40)29-31(41)27-18-24-19-28-35(6,7)45-37(34(24)42,17-13-23(5)20-39)38(27,28)44-33(29)26(32(25)43-36)12-11-22(3)4/h10-11,13-14,16,18,20,24,28,40H,9,12,15,17,19H2,1-8H3/b23-13+/t24-,28+,36-,37+,38-/m1/s1
SMILES OC1=C(C(C([C@]23O4)=C[C@H]5C([C@]2(C/C=C(C)/C=O)OC(C)(C)[C@@H]3C5)=O)=O)C4=C(C/C=C(C)/C)C6=C1C=C[C@](CC/C=C(C)/C)(C)O6
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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