input word = C00010758

Metabolite InformationStructural formula
Name O-Methylhaenkeanoside
Formula C27H34O13
Mw 566.19994117
CAS RN 119944-57-9
C_ID C00010758 ,
InChIKey ZDZLKQAIMLXIRP-AVJRPNKRNA-N
InChICode InChI=1S/C27H34O13/c1-13-21-16(10-20(34-2)38-13)17(25(33)35-3)11-37-26(21)40-27-24(32)23(31)22(30)18(39-27)12-36-19(29)9-6-14-4-7-15(28)8-5-14/h4-9,11,13,16,18,20-24,26-28,30-32H,10,12H2,1-3H3/b9-6+/t13-,16+,18+,20-,21+,22+,23-,24-,26-,27-/m0/s1
SMILES [C@H]12[C@H]([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)COC(=O)/C=C/c1ccc(cc1)O)[C@@H](O[C@@H](C2)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeIsertia haenkeana Ref.
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OrganismIsertia haenkeana
ReferenceRumbero-Sanchez,Heterocycles,27,(1988),2863