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 Oc1ccc(/C=C/c2c(O)ccc3c2[C@@H](c2cc(O)cc4c2[C@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex pendula Ref.
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