input word = C00006445

Metabolite InformationStructural formula
Name GB3
Formula C31H24O13
Mw 604.12169086
CAS RN 110605-18-0
C_ID C00006445
InChIKey VPYOOPCZWWOPSA-CUISCLKUSA-N
InChICode InChI=1S/C32H26O12/c1-12-7-19(37)25(32-23(12)28(40)29(41)31(44-32)14-3-5-16(34)17(35)8-14)26-27(39)24-20(38)10-15(33)11-22(24)43-30(26)13-4-6-21(42-2)18(36)9-13/h3-11,26,29-31,33-38,41H,1-2H3/t26-,29?,30-,31+/m0/s1
SMILES OC1=CC(O)=C(C([C@H](C2=C(O)C=C(C)C3=C2O[C@H](C4=CC=C(O)C(O)=C4)C(O)C3=O)[C@H](C5=CC=C(OC)C(O)=C5)O6)=O)C6=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia kola Ref.
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