(Q104997876)

English

[(10S,11R,12R,13S,15R)-13-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[13-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

796.112307916 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-3-O-galloyl-4-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-2,2'-biphenylylene)biscarbonyl]-beta-D-glucopyranose

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₂₈O₂₁

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canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C1O)C=CC6=CC=C(O)C(O)=C6

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O

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found in taxon

Balanophora fungosa

1 reference

stated in

Galloyl and hexahydroxydiphenoyl esters of phenylpropanoid glucosides, phenylpropanoids and phenylpropanoid glucosides from rhizome of Balanophora fungosa

Identifiers

InChI

InChI=1S/C36H28O21/c37-15-3-1-11(5-16(15)38)2-4-22(43)55-36-30(49)32(57-33(50)12-6-17(39)25(44)18(40)7-12)31-21(54-36)10-53-34(51)13-8-19(41)26(45)28(47)23(13)24-14(35(52)56-31)9-20(42)27(46)29(24)48/h1-9,21,30-32,36-42,44-49H,10H2/b4-2+/t21-,30-,31+,32-,36+/m1/s1

0 references

InChIKey

FMIYQZIXXGXUEI-GTKNYGKRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FMIYQZIXXGXUEI-GTKNYGKRSA-N

(Q104997876)

[(10S,11R,12R,13S,15R)-13-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Statements

Identifiers

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