(Q104403601)

English

3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)chromen-4-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

660.24180596 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₁₄

0 references

canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C1=C(O)C=C(O)C4CC=C(C)C)C=5C=CC(OC)=CC5

0 references

isomeric SMILES

COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1

0 references

found in taxon

Epimedium grandiflorum var. koreanum

3 references

stated in

A 9,10-dihydrophenanthrene derivate from Epimedium koreanum

stated in

Flavonoids from Epimedium koreanum

stated in

Flavonol glycosides from Epimedium koreanum

Identifiers

InChI

InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1

0 references

InChIKey

TVBJKPLTBPGHDJ-ZJTKNEERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVBJKPLTBPGHDJ-ZJTKNEERSA-N

1 reference

0 references

1 reference

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

retrieved

15 January 2022

InChIKey

TVBJKPLTBPGHDJ-ZJTKNEERSA-N

(Q104403601)

3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)chromen-4-one

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Identifiers

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