(Q105249365)

English

3-{[(2S,5R)-6-({[(2R,4R,5R)-3,4-dihydroxy-6-methyl-5-{[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

group of stereoisomers with the chemical formula C₃₄H₄₂O₂₁

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instance of

group of stereoisomers

0 references

1 reference

786.2218583640001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₄₂O₂₁

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canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(OC)C6

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isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@H](O)C(O)C2O)ccc1O

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Identifiers

InChI

InChI=1S/C34H42O21/c1-10-29(54-33-26(45)23(42)20(39)17(8-35)52-33)25(44)28(47)32(50-10)49-9-18-21(40)24(43)27(46)34(53-18)55-31-22(41)19-14(38)6-12(36)7-16(19)51-30(31)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-21,23-29,32-40,42-47H,8-9H2,1-2H3/t10?,17?,18?,20-,21-,23-,24?,25+,26?,27?,28?,29-,32+,33-,34-/m0/s1

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InChIKey

SBEPSCJFOSFEPL-JVRFTMPWSA-N

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PubChem CID

44259341

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SBEPSCJFOSFEPL-JVRFTMPWSA-N

1 reference

1 reference

SBEPSCJFOSFEPL-JVRFTMPWSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q105249365)

3-{[(2S,5R)-6-({[(2R,4R,5R)-3,4-dihydroxy-6-methyl-5-{[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

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