CHEBI:212031 - 7-Hydroxylbenzastatin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-Hydroxylbenzastatin B
ChEBI ID CHEBI:212031
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25NO2
Net Charge 0
Average Mass 287.403
Monoisotopic Mass 287.18853
InChI InChI=1S/C18H25NO2/c1-12(2)14(4)7-5-13(3)6-8-15-11-16(18(20)21)9-10-17(15)19/h6,9-11H,5,7-8,19H2,1-4H3,(H,20,21)/b13-6+
InChIKey SPJGSJRVZWOJLW-AWNIVKPZSA-N
SMILES O=C(O)C1=CC(=C(N)C=C1)C/C=C(/CCC(=C(C)C)C)\C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 7-Hydroxylbenzastatin B (CHEBI:212031) is a monoterpenoid (CHEBI:25409)
IUPAC Name
4-amino-3-[(2E)-3,6,7-trimethylocta-2,6-dienyl]benzoic acid