OntologieschebiclassesCHEBI:167576   
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kinanthraquinone B
http://purl.obolibrary.org/obo/CHEBI_167576

A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enoic acid, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593.

Also appears inslm
Exact Synonyms
(3Z)-4-(1-hydroxy-5,6-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-methylbut-3-enoic acid
class Information
charge

0

formula

C21H18O7

has_dbxref

PMID:33590007

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C21H18O7/c1-10(9-15(22)23)8-11-4-5-12-16(18(11)24)19(25)13-6-7-14(27-2)21(28-3)17(13)20(12)26/h4-8,24H,9H2,1-3H3,(H,22,23)/b10-8-

inchikey

UBMNDGOTJSQUMP-NTMALXAHSA-N

in_subset

3_STAR

mass

382.368

monoisotopicmass

382.10525

smiles

COC1=C(OC)C2=C(C=C1)C(=O)C1=C(C=CC(\C=C(\C)CC(O)=O)=C1O)C2=O

class Relations