(Q76506782)

English

dotriacontyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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612.548146164 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₂O₃

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canonical SMILES

O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C=CC1=CC=C(O)C=C1

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=C(C=C1)O

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Cinnamomum camphora

1 reference

Chemistry of Leave Extractives from Cineole Tree

Identifiers

InChI=1S/C41H72O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-38-44-41(43)37-34-39-32-35-40(42)36-33-39/h32-37,42H,2-31,38H2,1H3/b37-34+

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ZREKAWAROKJCRC-NFSLGCCLSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

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mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C41H72O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-38-44-41(43)37-34-39-32-35-40(42)36-33-39/h32-37,42H,2-31,38H2,1H3/b37-34+

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZREKAWAROKJCRC-NFSLGCCLSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZREKAWAROKJCRC-NFSLGCCLSA-N

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