(Q105276817)

English

7-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

0 references

mass

624.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₁₆

0 references

canonical SMILES

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

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isomeric SMILES

COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](CO)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2OC)cc1O

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found in taxon

Punica granatum

1 reference

stated in

Flavonoid Diglycoside from Punica granatum

Identifiers

InChI

InChI=1S/C28H32O16/c1-38-14-4-3-10(5-12(14)30)25-26(39-2)21(34)18-13(31)6-11(7-15(18)42-25)41-28-24(37)22(35)20(33)17(44-28)9-40-27-23(36)19(32)16(8-29)43-27/h3-7,16-17,19-20,22-24,27-33,35-37H,8-9H2,1-2H3/t16-,17+,19+,20+,22-,23+,24+,27-,28+/m0/s1

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InChIKey

UPISBTVRUJGIRH-RQEVDXNRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UPISBTVRUJGIRH-RQEVDXNRSA-N

(Q105276817)

7-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one

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Identifiers

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