input word = C00036910

Metabolite InformationStructural formula
Name cis-Miyabenol A
Formula C56H42O12
Mw 906.26762681
CAS RN 351415-09-3
C_ID C00036910 ,
InChIKey CUVNFDINCGVIOQ-LXAGTENKNA-N
InChICode InChI=1S/C56H42O12/c57-33-10-1-28(2-11-33)3-18-41-44(65)19-20-45-49(41)52(55(66-45)30-6-14-35(59)15-7-30)43-25-40(64)27-47-51(43)53(56(68-47)31-8-16-36(60)17-9-31)42-24-39(63)26-46-50(42)48(32-21-37(61)23-38(62)22-32)54(67-46)29-4-12-34(58)13-5-29/h1-27,48,52-65H/b18-3+/t48-,52-,53-,54+,55-,56-/m1/s1
SMILES c1(c2c(cc(c1)O)O[C@H]([C@@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O)[C@H]1[C@H](Oc2c1c(cc(c2)O)[C@H]1[C@H](Oc2c1c(c(cc2)O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex pendula Ref.
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OrganismCarex pendula
ReferenceMeng,Phytochem.,57,(2001),393