Terminology Service for NFDI4Health
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abietate

Go to external page http://purl.obolibrary.org/obo/CHEBI_35680

Term info

Label

abietate

Synonyms
  • abieta-7,13-dien-18-oate
database cross reference
Subsets

3_STAR

IUPAC NAME
abieta-7,13-dien-18-oate [ IUPAC ]

charge

-1

formula

C20H29O2

has obo namespace

chebi_ontology

has related synonym

abieta-7,13-dien-18-oate

id

CHEBI:35680

inchi

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/p-1/t16-,17+,19+,20+/m0/s1

inchikey

RSWGJHLUYNHPMX-ONCXSQPRSA-M

mass

301.44306

monoisotopicmass

301.21730

smiles

[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C