(Q105182972)

English

2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)benzene-1,4-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

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mass

796.636961168 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₄H₈₄O₄

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canonical SMILES

OC=1C(OC)=C(OC)C(O)=C(C1C)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

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found in taxon

Cystoclonium purpureum

1 reference

stated in

Antibacterial constituents of the red alga cystoclonium purpureum

Identifiers

InChI

InChI=1S/C54H84O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38,55-56H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3

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InChIKey

NPCOQXAVBJJZBQ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPCOQXAVBJJZBQ-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0259381

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NPCOQXAVBJJZBQ-UHFFFAOYSA-N

(Q105182972)

2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)benzene-1,4-diol

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Identifiers

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