(Q105380398)

English

[(1S,7R,9R,18R,19S,21R,22S)-7,8,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7,8,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

650.075528484 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,7S,9R,18R,19S,21R,22S)-7,8,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,7S,9S,18R,19S,21R,22S)-7,8,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂O₁₉

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canonical SMILES

O=C(OC1OC(CO)C2OC(=O)C3=CC(=O)C4(O)OC=5C(O)=C(O)C=C(C(=O)OC1C2O)C5C3C4(O)O)C6=CC(O)=C(O)C(O)=C6

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isomeric SMILES

O=C1O[C@H]2[C@H](O)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)[C@](O)(O4)C3(O)O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2CO

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found in taxon

Bischofia javanica

1 reference

stated in

Bischofianin, a dimeric dehydroellagitannin from Bischofia javanica

Geranium thunbergii

1 reference

stated in

Dehydrogeraniin, furosinin and furosin, dehydroellagitannins from Geranium thunbergii.

Macaranga sinensis

1 reference

stated in

Identifiers

InChI

InChI=1S/C27H22O19/c28-5-12-19-18(35)21(25(42-12)45-22(36)6-1-9(29)16(33)10(30)2-6)44-23(37)7-3-11(31)17(34)20-14(7)15-8(24(38)43-19)4-13(32)27(41,46-20)26(15,39)40/h1-4,12,15,18-19,21,25,28-31,33-35,39-41H,5H2/t12-,15+,18+,19-,21-,25+,27+/m1/s1

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InChIKey

ZOEGQXCAXOUFHN-WGTBBJKBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105380398)

[(1S,7R,9R,18R,19S,21R,22S)-7,8,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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