(Q104921784)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

554.16355564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₁₄

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13O)COC(=O)C4=CC=C(O)C(OC)=C4

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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]2C(COC(=O)c3ccc(O)c(OC)c3)=CC[C@]12O

0 references

found in taxon

Amphilophium crucigerum

1 reference

stated in

Iridoid glycosides from the stems of Pithecoctenium crucigerum (Bignoniaceae).

Identifiers

InChI

InChI=1S/C25H30O14/c1-34-15-7-11(3-4-14(15)27)21(31)36-9-12-5-6-25(33)13(22(32)35-2)10-37-23(17(12)25)39-24-20(30)19(29)18(28)16(8-26)38-24/h3-5,7,10,16-20,23-24,26-30,33H,6,8-9H2,1-2H3/t16-,17+,18-,19+,20-,23+,24+,25+/m1/s1

0 references

InChIKey

AZLWQZHYZULOEX-BNFWLUPDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZLWQZHYZULOEX-BNFWLUPDSA-N

(Q104921784)

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

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