(Q115950657)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

608.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂O₁₅

0 references

canonical SMILES

O=C1C=C(OC=2C=C(OC)C(=C(O)C12)C3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)C=5C=CC(O)=C(O)C5

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isomeric SMILES

COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O

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found in taxon

Justicia pectoralis

1 reference

stated in

O-Methoxylated C-glycosylflavones from Justicia pectoralis

Identifiers

InChI

InChI=1S/C28H32O15/c1-9-20(33)23(36)25(38)28(40-9)43-27-24(37)21(34)17(8-29)42-26(27)19-15(39-2)7-16-18(22(19)35)13(32)6-14(41-16)10-3-4-11(30)12(31)5-10/h3-7,9,17,20-21,23-31,33-38H,8H2,1-2H3/t9-,17+,20-,21+,23-,24-,25-,26-,27+,28-/m0/s1

0 references

InChIKey

JZGCDCHJHIMHJD-ZKUZGODBSA-N

0 references

1 reference

2 January 2023

inferred from InChIKey

(Q115950657)

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

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