(Q105030132)

English

[(2S,3R,4S,5S,6R)-2-[2-[(1S,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[2-(1,2-Dihydroxypropyl)-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

556.194461844 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4S,5S,6R)-2-[2-[(1R,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₁

0 references

canonical SMILES

O=C(OC1C(O)C(O)C(OC1C2=C(OC)C=C(C=3C(=O)C=C(OC32)C(O)C(O)C)C)CO)C=CC=4C=CC=CC4

0 references

isomeric SMILES

COc1cc(C)c2c(=O)cc([C@@H](O)[C@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccccc1

0 references

found in taxon

Aloe vera

1 reference

stated in

Five chromones from Aloe Vera leaves

Identifiers

InChI

InChI=1S/C29H32O11/c1-14-11-18(37-3)23(27-22(14)17(32)12-19(38-27)24(34)15(2)31)28-29(26(36)25(35)20(13-30)39-28)40-21(33)10-9-16-7-5-4-6-8-16/h4-12,15,20,24-26,28-31,34-36H,13H2,1-3H3/b10-9+/t15-,20+,24-,25+,26-,28-,29+/m0/s1

0 references

InChIKey

HLFYJFSIVFUDFJ-DWUGGLRBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HLFYJFSIVFUDFJ-DWUGGLRBSA-N

(Q105030132)

[(2S,3R,4S,5S,6R)-2-[2-[(1S,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate

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