input word = C00044492

Metabolite InformationStructural formula
Name Acetylgaertneroside
(+)-Acetylgaertneroside
Formula C28H30O14
Mw 590.16355567
CAS RN 497178-34-4
C_ID C00044492 ,
InChIKey BDUPWFOFVQZENO-PIUKKXJINA-N
InChICode InChI=1S/C28H30O14/c1-12(29)38-11-18-21(32)22(33)23(34)27(40-18)41-26-19-15(17(10-39-26)24(35)37-2)7-8-28(19)9-16(25(36)42-28)20(31)13-3-5-14(30)6-4-13/h3-10,15,18-23,26-27,30-34H,11H2,1-2H3/t15-,18+,19+,20+,21-,22-,23+,26+,27-,28+/m0/s1
SMILES O1C=C([C@H]2[C@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)COC(=O)C)[C@@]1(C=C2)C=C(C(=O)O1)[C@@H](c1ccc(cc1)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda morindoides Ref.
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