input word = C00049740

Metabolite InformationStructural formula
Name Quadrangularin B
Formula C30H28O7
Mw 500.18350325
CAS RN 252557-26-9
C_ID C00049740 ,
InChIKey JNTJUEIFNSVAIA-BTQZHCHLNA-N
InChICode InChI=1S/C30H28O7/c1-2-37-30(17-5-9-20(32)10-6-17)29-24-14-23(35)15-25(36)28(24)26(16-3-7-19(31)8-4-16)27(29)18-11-21(33)13-22(34)12-18/h3-15,26-27,29-36H,2H2,1H3/t26-,27-,29-,30+/m0/s1
SMILES c1c(cc2c(c1O)[C@H]([C@@H]([C@H]2[C@@H](c1ccc(cc1)O)OCC)c1cc(cc(c1)O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeCissus quadrangularis Ref.
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