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 O=C1C=C2[C@@H]3c4c(cc(O)cc4[C@H]4c5c(O)cc6c(c5[C@@H]5[C@@H](c7ccc(O)cc7)C1C(=O)[C@@]25[C@H]4c1ccc(O)cc1)[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O6)O[C@H]3c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex pendula Ref.
PlantaeCyperaceaeCarex pumila Ref.
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OrganismCarex pendula
ReferenceMeng,Phytochem.,57,(2001),393