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 COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(C)=O)[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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OrganismMorinda morindoides
ReferenceCimanga,J.Nat.Prod.,66,(2003),97