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CHEBI:224431 - Salinaphthoquinone E

ChEBI IDCHEBI:224431
ChEBI NameSalinaphthoquinone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO7
Net Charge0
Average Mass441.480
Monoisotopic Mass441.17875
SMILESCc1cc2c(c(C(=O)[C@@H](C)[C@@H]3O[C@@H]4[C@H](C)[C@@H](OC(=O)[C@H]4C)[C@H]3C)c1O)C(=O)C=C(N)C2=O
InChIInChI=1S/C24H27NO7/c1-8-6-13-16(15(26)7-14(25)20(13)29)17(18(8)27)19(28)9(2)21-10(3)22-11(4)23(31-21)12(5)24(30)32-22/h6-7,9-12,21-23,27H,25H2,1-5H3/t9-,10+,11-,12+,21+,22+,23-/m1/s1
InChIKeyJFJSMDIDCGMPON-HSLOQEKDSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola (ncbitaxon:168697) - PubMed (31313922)
ChEBI Ontology
Outgoing Relation(s)
Salinaphthoquinone E (CHEBI:224431) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
2-amino-6-hydroxy-7-methyl-5-[(2S)-2-[(1R,3R,4S,5S,8S,9S)-4,8,9-trimethyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]propanoyl]naphthalene-1,4-dione