input word = C00045715

Metabolite InformationStructural formula
Name Calyculaglycoside E
(+)-Calyculaglycoside E
Formula C28H46O7
Mw 494.32435382
CAS RN 386211-75-2
C_ID C00045715 ,
InChIKey CJUXBFMESPSGKO-NGLBTTPWNA-N
InChICode InChI=1S/C28H46O7/c1-18-9-7-11-19(2)13-15-22(16-14-20(3)12-8-10-18)28(5,6)35-27-26(32)25(31)24(30)23(34-27)17-33-21(4)29/h9,12-13,22-27,30-32H,7-8,10-11,14-17H2,1-6H3/b18-9+,19-13+,20-12+/t22-,23-,24-,25+,26-,27+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)OC([C@H]1CC/C(=C/CC/C(=C/CC/C(=C/C1)/C)/C)/C)(C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Eunicea sp. Ref.
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OrganismEunicea sp.
ReferenceShi,J.Nat.Prod.,64,(2001),1439