input word = C00055557

Metabolite InformationStructural formula
Name Bigarcinenone A
Formula C56H62O13
Mw 942.41904207
CAS RN 1073496-49-7
C_ID C00055557
InChIKey DYGPCGKJBQDNNS-DHZYUKICSA-N
InChICode InChI=1S/C56H62O13/c1-25(2)13-12-14-29(9)18-22-33-31(20-16-27(5)6)39-47(62)41-35(58)23-34(57)40(51(41)68-53(39)50(65)46(33)61)44-43-37(67-55(44)56(10,11)66)24-36(59)42-48(63)38-30(19-15-26(3)4)32(21-17-28(7)8)45(60)49(64)54(38)69-52(42)43/h13,15-18,23-24,44,55,57-61,64-66H,12,14,19-22H2,1-11H3/b29-18+/t44?,55-/m0/s1
SMILES CC(C)=CCC/C(C)=C/Cc1c(O)c(O)c2oc3c(C4c5c(cc(O)c6c(=O)c7c(CC=C(C)C)c(CC=C(C)C)c(O)c(O)c7oc56)O[C@@H]4C(C)(C)O)c(O)cc(O)c3c(=O)c2c1CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia xanthochymus Ref.
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