(Q105228703)

English

2-[4-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[4-[4,5-Dihydroxy-6-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

592.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂O₁₄

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canonical SMILES

O=C1C=C(OC2=CC(OC)=CC(O)=C12)C=3C=CC(OC4OC(OC)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)=CC3

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isomeric SMILES

COc1cc(O)c2c(=O)cc(-c3ccc(O[C@H]4O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc3)oc2c1

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found in taxon

Vernonia fasciculata

1 reference

stated in

Flavonoids from Vernonia fasciculata Michx. Isolation of genkwanin and a new flavone disaccharide, fasciculatin

Identifiers

InChI

InChI=1S/C28H32O14/c1-11-20(31)21(32)23(34)27(38-11)41-25-22(33)24(35)26(37-3)42-28(25)39-13-6-4-12(5-7-13)17-10-16(30)19-15(29)8-14(36-2)9-18(19)40-17/h4-11,20-29,31-35H,1-3H3/t11-,20-,21+,22-,23+,24-,25+,26-,27-,28+/m1/s1

0 references

InChIKey

QVKGJQCLCVZLGN-SJNPOLQNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVKGJQCLCVZLGN-SJNPOLQNSA-N

(Q105228703)

2-[4-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one

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