input word = C00015824

Metabolite InformationStructural formula
Name Miyabenol A
Formula C56H42O12
Mw 906.26762681
CAS RN 109617-36-9
C_ID C00015824 ,
InChIKey UCGUBQISONYIPQ-RJRFIUFINA-N
InChICode InChI=1S/C56H42O12/c57-34-11-2-28(3-12-34)1-4-32-19-40(63)25-45-48(32)52(55(66-45)30-7-15-36(59)16-8-30)44-24-42(65)27-47-51(44)53(56(68-47)31-9-17-37(60)18-10-31)43-23-41(64)26-46-50(43)49(33-20-38(61)22-39(62)21-33)54(67-46)29-5-13-35(58)14-6-29/h1-27,49,52-65H/b4-1-/t49-,52+,53+,54+,55-,56+/m0/s1
SMILES c12c(c(cc(c1)O)[C@@H]1c3c(O[C@@H]1c1ccc(cc1)O)cc(cc3[C@@H]1c3c(O[C@H]1c1ccc(cc1)O)cc(cc3/C=C\c1ccc(cc1)O)O)O)[C@@H]([C@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex fedia var.miyabei Ref.
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