(Q104667992)

English

methyl (2S,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

490.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₂O₁₂

0 references

canonical SMILES

O=C1C=C(OC=2C1=C(O)C=C(O)C2C3OC(C(=O)OC)C(O)C(O)C3O)C=4C=CC(OC)=C(O)C4

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isomeric SMILES

COC(=O)[C@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(OC)c(O)c4)oc23)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Helicteres isora

1 reference

stated in

Helisterculins A and B, Two New (7.5′,8.2′)-Neolignans, and Helisorin, the First (6.4′,7.5′,8.2′)-Neolignan, from the Indonesian Medicinal PlantHelicteres isora

Identifiers

InChI

InChI=1S/C23H22O12/c1-32-13-4-3-8(5-9(13)24)14-7-12(27)15-10(25)6-11(26)16(20(15)34-14)21-18(29)17(28)19(30)22(35-21)23(31)33-2/h3-7,17-19,21-22,24-26,28-30H,1-2H3/t17-,18-,19+,21+,22+/m1/s1

0 references

InChIKey

WHWSCJLBWILGIF-DGYCAGFBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WHWSCJLBWILGIF-DGYCAGFBSA-N

(Q104667992)

methyl (2S,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxane-2-carboxylate

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