(Q104978618)

English

[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[(9S)-1,4,5-trihydroxy-7-(hydroxymethyl)-9H-xanthen-9-yl]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-trihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-9H-xanthen-9-yl]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

568.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₂₈O₁₂

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canonical SMILES

O=C(OCC1OC(C(O)C(O)C1O)C2C3=CC(=CC(O)=C3OC=4C(O)=CC=C(O)C42)CO)C=CC5=CC=C(O)C=C5

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H]([C@H]2c3cc(CO)cc(O)c3Oc3c(O)ccc(O)c32)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Aloe broomii

1 reference

stated in

Chromone and aloin derivatives from Aloe broomii, A. Africana and A. speciosa

Identifiers

InChI

InChI=1S/C29H28O12/c30-11-14-9-16-22(23-17(32)6-7-18(33)28(23)41-27(16)19(34)10-14)29-26(38)25(37)24(36)20(40-29)12-39-21(35)8-3-13-1-4-15(31)5-2-13/h1-10,20,22,24-26,29-34,36-38H,11-12H2/b8-3+/t20-,22+,24-,25+,26-,29-/m1/s1

0 references

InChIKey

DGDVHVICJFPBLD-JRUOEOCDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGDVHVICJFPBLD-JRUOEOCDSA-N

(Q104978618)

[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[(9S)-1,4,5-trihydroxy-7-(hydroxymethyl)-9H-xanthen-9-yl]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Identifiers

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