(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate

(1<i>E</i>,2<i>Z</i>)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate




Chemical Formula:
C19H23O6
Molecular Weight:
347.387 Daltons
Monoisotopic Mass:
348.157288503 Daltons
SMILES:
CC(=CC=C(O)C(=O)[O-])C(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12))
InChI:
1S/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/p-1/b11-3+,16-6-/t12?,13-,19-/m0/s1
InChIKey:
HRJXKKSJPNWKCP-VHYMCRENSA-M

Synonyms
  • 8-[(3a-methyl-3,6-dioxo-2,3a,4,5,7,7a-hexahydro-1H-inden-7-yl)]- 2-hydroxy-5-methyl-6-oxo-octa-2,4-dienoic acid
  • 4,5-9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate
  • 4,5-9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oic acid
  • 4,9-DSHA

Databases
MetaCyc:  3-HYDROXY-5917-TRIOXO-45910-DISECOA
PubChem (CID):  90657541 54740345
ChEBI:  63690
KEGG:  C04844
Seed:  cpd02941
MetaNetX:  MNXM3389