(Q105131391)

English

3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-[(3,4-dihydroxy-5-{1-hydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]ethyl}oxolan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

610.15338488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₁₆

0 references

canonical SMILES

O=C1C(OC2OC(C(O)COC3OC(C)C(O)C(O)C3O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

0 references

isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H](O)[C@@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Vicia sativa

1 reference

stated in

Coumarins ofVicia sativa

Identifiers

InChI

InChI=1S/C27H30O16/c1-8-17(33)19(35)21(37)26(40-8)39-7-14(32)24-20(36)22(38)27(42-24)43-25-18(34)16-13(31)5-10(28)6-15(16)41-23(25)9-2-3-11(29)12(30)4-9/h2-6,8,14,17,19-22,24,26-33,35-38H,7H2,1H3/t8-,14-,17-,19+,20+,21+,22+,24-,26+,27-/m0/s1

0 references

InChIKey

JMGZEFIQIZZSBH-RZVHTKHLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMGZEFIQIZZSBH-RZVHTKHLSA-N

(Q105131391)

3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

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