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 Oc1ccc(/C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc5c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex fedia var.miyabei Ref.
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis thunbergii Ref.
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OrganismVitis amurensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.