(Q105169642)

English

[4-hydroxy-3-methyl-5-[(2E,6E,10Z,14R)-11,14,15-trihydroxy-3,7,15-trimethylhexadeca-2,6,10-trienyl]phenyl] octadecanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

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mass

698.548540088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₇₄O₆

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canonical SMILES

O=C(OC=1C=C(C(O)=C(C1)CC=C(C)CCC=C(C)CCC=C(O)CCC(O)C(O)(C)C)C)CCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C)c(O)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\O)CC[C@@H](O)C(C)(C)O)c1

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found in taxon

Sargassum micracanthum

1 reference

stated in

New plastoquinones isolated from the brown alga, Sargassum micracanthum

Identifiers

InChI

InChI=1S/C44H74O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-42(47)50-40-33-37(4)43(48)38(34-40)30-29-36(3)25-22-24-35(2)26-23-27-39(45)31-32-41(46)44(5,6)49/h24,27,29,33-34,41,45-46,48-49H,7-23,25-26,28,30-32H2,1-6H3/b35-24+,36-29+,39-27-/t41-/m1/s1

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InChIKey

MPODBWZKCKXSQW-RPTYCENZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MPODBWZKCKXSQW-RPTYCENZSA-N

(Q105169642)

[4-hydroxy-3-methyl-5-[(2E,6E,10Z,14R)-11,14,15-trihydroxy-3,7,15-trimethylhexadeca-2,6,10-trienyl]phenyl] octadecanoate

Statements

Identifiers

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