(Q113949774)

English

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

chemical compound

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type of chemical entity

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1 reference

624.1690349439999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

Isorhamnetin 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Isorhamnetin 3-glucoside-7-rhamnoside

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₁₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O

1 reference

based on heuristic

inferred from SMILES

Identifiers

InChI

InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22-,23+,24+,27-,28-/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

NEJKEXUJCSYMCC-CMWHQFSMSA-N

0 references

PubChem CID

102153719

1 reference

matched by identifier from

InChIKey

NEJKEXUJCSYMCC-CMWHQFSMSA-N

LIPID MAPS ID

LMPK12112323

0 references

(Q113949774)

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

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