input word = C00044776

Metabolite InformationStructural formula
Name Gaertneroside
(+)-Gaertneroside
Formula C26H28O13
Mw 548.15299098
CAS RN 497177-86-3
C_ID C00044776 ,
InChIKey HGHZVZYRYYMUTI-FHCLYIEBNA-N
InChICode InChI=1S/C26H28O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-21,24-25,27-32H,9H2,1H3/t13-,16+,17+,18-,19+,20-,21+,24+,25-,26+/m0/s1
SMILES COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]21C=C(C(O)c2ccc(O)cc2)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda morindoides Ref.
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