input word = C00015803

Metabolite InformationStructural formula
Name Kobophenol B
Formula C56H40O12
Mw 904.25197674
CAS RN 133383-20-7
C_ID C00015803 ,
InChIKey QENCSSQOFHZZCZ-FHNPCKRINA-N
InChICode InChI=1S/C56H40O12/c57-29-9-1-24(2-10-29)42-48-38(64)22-37-46-44-36(20-35(63)21-40(44)67-54(46)27-7-15-32(60)16-8-27)45-47-39(65)23-41-49(50(47)52(42)56(37,55(48)66)51(45)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)53(68-41)26-5-13-31(59)14-6-26/h1-23,42-43,45-46,48,51-54,57-63,65H/t42-,43+,45-,46+,48+,51-,52-,53+,54-,56+/m0/s1
SMILES c12c(cc(c3c1[C@@H]1[C@@H](c4ccc(cc4)O)[C@H]4C(=O)C=C5[C@@]1(C4=O)[C@H]([C@H]3c1c3c(cc(c1)O)O[C@H]([C@H]53)c1ccc(cc1)O)c1ccc(cc1)O)O)O[C@@H]([C@@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex pendula Ref.
PlantaeCyperaceaeCarex pumila Ref.
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OrganismCarex pumila
Referencekawabata,Phytochem.,30,(1991),645