input word = C00010757

Metabolite InformationStructural formula
Name Haenkeanoside
Formula C26H32O13
Mw 552.18429111
CAS RN 119944-56-8
C_ID C00010757 ,
InChIKey NDWRAKHBGGVITC-USRPOFRGNA-N
InChICode InChI=1S/C26H32O13/c1-12-20-15(9-19(29)37-12)16(24(33)34-2)10-36-25(20)39-26-23(32)22(31)21(30)17(38-26)11-35-18(28)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17,19-23,25-27,29-32H,9,11H2,1-2H3/b8-5+/t12-,15+,17+,19-,20+,21+,22+,23-,25-,26-/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)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeIsertia haenkeana Ref.
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