Aminobenzoate D (CHEBI:211795)

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CHEBI:211795 - Aminobenzoate D

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ChEBI ID	CHEBI:211795
ChEBI Name	Aminobenzoate D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H23NO4
Net Charge	0
Average Mass	305.374
Monoisotopic Mass	305.16271
SMILES	CC(C)(O)[C@H]1CC[C@@](C)(O)[C@@H]2Cc3cc(C(=O)O)ccc3N21
InChI	InChI=1S/C17H23NO4/c1-16(2,21)13-6-7-17(3,22)14-9-11-8-10(15(19)20)4-5-12(11)18(13)14/h4-5,8,13-14,21-22H,6-7,9H2,1-3H3,(H,19,20)/t13-,14+,17-/m1/s1
InChIKey	FPQVKUQAXFGZIE-JKIFEVAISA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1177/1934578X19861791)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Aminobenzoate D (CHEBI:211795) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
(6R,9R,9aS)-9-hydroxy-6-(2-hydroxypropan-2-yl)-9-methyl-7,8,9a,10-tetrahydro-6H-pyrido[1,2-a]indole-2-carboxylic acid