(Q105384845)

English

6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₅

0 references

canonical SMILES

O=C1C=C(OC=2C(O)=C(OC)C(=C(O)C12)C3OC(CO)C(O)C(O)C3OC4OCC(O)(CO)C4O)C=5C=CC(O)=CC5

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isomeric SMILES

COc1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O

0 references

found in taxon

Abrus precatorius

1 reference

stated in

Saponins and C-Glycosyl Flavones from the Seeds of Abrus precatorius.

Identifiers

InChI

InChI=1S/C27H30O15/c1-38-21-16(18(33)15-12(31)6-13(40-22(15)20(21)35)10-2-4-11(30)5-3-10)23-24(19(34)17(32)14(7-28)41-23)42-26-25(36)27(37,8-29)9-39-26/h2-6,14,17,19,23-26,28-30,32-37H,7-9H2,1H3/t14-,17-,19+,23+,24-,25+,26+,27-/m1/s1

0 references

InChIKey

ZWDZHRULMLSHPW-FFCLRUJESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZWDZHRULMLSHPW-FFCLRUJESA-N

(Q105384845)

6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

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Identifiers

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