(Q105151849)

English

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

724.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₂O₁₄

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canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC6=CC=C(O)C=C6

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O

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found in taxon

Anisomeles indica

3 references

stated in

Bioactive cembrane diterpenoids of Anisomeles indica

stated in

Anisofolin-A, a New Acylated Flavone Glucoside from Anisomeles ovata R. Br.

stated in

Anisofolin-A, a New Acylated Flavone Glucoside from Anisomeles ovata R. Br.

Stachys byzantina

2 references

stated in

Iridoid glycoside constituents of Stachys lanata

stated in

Iridoid glycoside constituents of Stachys lanata

Leucas cephalotes

1 reference

stated in

Studies on Nepalese crude drugs. XXIX. Chemical constituents of Dronapuspi, the whole herb of Leucas cephalotes SPRENG.

Marrubium velutinum

1 reference

stated in

Acylated flavonoid and phenylethanoid glycosides from Marrubium velutinum

Stachys palaestina

1 reference

stated in

Iridoid glycoside constituents of Stachys lanata

Identifiers

InChI

InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37-,38+,39-/m1/s1

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InChIKey

LHMKSPOTCLVAKR-AVMIHGAISA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

LHMKSPOTCLVAKR-AVMIHGAISA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

LHMKSPOTCLVAKR-AVMIHGAISA-N

(Q105151849)

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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