(Q105150367)

English

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

group of stereoisomers with the chemical formula C₂₇H₃₀O₁₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

610.15338488 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₆

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canonical SMILES

O=C1C=C(OC2=CC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12)C=5C=CC(O)=C(O)C5

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isomeric SMILES

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](COC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12

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found in taxon

Cotula cinerea

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stated in

Flavonoids of Cotula cinerea

Cotula cinereum

1 reference

stated in

Flavonoids of Cotula cinerea

Identifiers

InChI

InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26?,27-/m1/s1

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InChIKey

LDTDRTSKWGQBAA-ZJTGKNJOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LDTDRTSKWGQBAA-ZJTGKNJOSA-N

(Q105150367)

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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Identifiers

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