(Q105135126)

English

5,7-dihydroxy-6-methoxy-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

5,7-Dihydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

624.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5,7-Dihydroxy-6-methoxy-4'-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)isoflavone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

5,7-dihydroxy-6-methoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₈H₃₂O₁₆

0 references

canonical SMILES

O=C1C(=COC2=CC(O)=C(OC)C(O)=C12)C=3C=CC(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=CC3

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isomeric SMILES

COc1c(O)cc2occ(-c3ccc(O[C@H]4O[C@@H](CO[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1O

0 references

found in taxon

Iris spuria

1 reference

stated in

Isoflavonoids and flavone glycosides from rhizomes of Iris carthaliniae

Identifiers

InChI

InChI=1S/C28H32O16/c1-39-26-13(30)6-14-17(21(26)34)18(31)12(8-40-14)10-2-4-11(5-3-10)42-28-25(38)23(36)20(33)16(44-28)9-41-27-24(37)22(35)19(32)15(7-29)43-27/h2-6,8,15-16,19-20,22-25,27-30,32-38H,7,9H2,1H3/t15-,16-,19-,20-,22+,23+,24-,25-,27-,28-/m0/s1

0 references

InChIKey

JUBDCFUPBLXIFI-PICGOMFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JUBDCFUPBLXIFI-PICGOMFFSA-N

(Q105135126)

5,7-dihydroxy-6-methoxy-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one

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