input word = C00030813

Metabolite InformationStructural formula
Name Nepalensinol E
(+)-Nepalensinol E
Formula C56H44O13
Mw 924.27819149
CAS RN 890854-30-5
C_ID C00030813 ,
InChIKey RAUCCLKIJHMTND-RGBVWDBCNA-N
InChICode InChI=1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52-,53+,54+,55+,56-/m1/s1
SMILES c1c(cc2c(c1[C@@H]1[C@@H]([C@@H](O[C@@H]1c1ccc(cc1)O)c1ccc(cc1)O)c1cc(cc(c1)O)O)[C@H]([C@@H](O2)c1ccc(cc1)O)c1c2c(cc(c1)O)O[C@H]([C@@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeKobresia nepalensis Ref.
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OrganismKobresia nepalensis
ReferenceYamada,Chem.Pharm.Bull.,54,(2006),354