(Q105236767)

English

methyl (1S,4aR,7R,7aS)-4'-(4-hydroxy-3-methoxybenzoyl)-5'-oxo-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 4'-(4-hydroxy-3-methoxybenzoyl)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

576.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

dehydromethoxygaertneroside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₈O₁₄

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC43OC(=O)C(=C4)C(=O)C5=CC=C(O)C(OC)=C5

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isomeric 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)c(OC)c2)C(=O)O1

0 references

found in taxon

Morinda citrifolia

4 references

stated in

Chemical constituents of the fruits of Morinda citrifolia (Noni) and their antioxidant activity.

stated in

New anthraquinone and iridoid from the fruits of Morinda citrifolia

stated in

Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti.

stated in

Chemical Constituents from the Stems of Morinda citrifolia Linn

Morinda morindoides

1 reference

stated in

Complement-inhibiting iridoids from Morinda morindoides

Identifiers

InChI

InChI=1S/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17+,18+,20-,21-,22+,25-,26-,27+/m0/s1

0 references

InChIKey

RIDIXCFHWOHPTF-QPMXNAJYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RIDIXCFHWOHPTF-QPMXNAJYSA-N

(Q105236767)

methyl (1S,4aR,7R,7aS)-4'-(4-hydroxy-3-methoxybenzoyl)-5'-oxo-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

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Identifiers

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