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 OC1=C2C(C(C(C(O)=CC3=C4C(C5=C(OC(C(O)=C(O)C(C/C=C(C)/CC/C=C(C)/C)=C6C/C=C(C)/C)=C6C7=O)C7=C(O)C=C5O)[C@@H](C(C)(O)C)O3)=C4O2)=O)=C(C/C=C(C)/C)C(C/C=C(C)/C)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia xanthochymus Ref.
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