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3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid

MNXM819820 is deprecated and here replaced by MNXM1371570
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371570 Image of MNXM1371570
referencechebi:29086
formulaC19H24O6
global charge0
mol weight348.395
InChIKeyHRJXKKSJPNWKCP-JMERFSKESA-N
InChIInChI=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)/t12-,13-,19-/m0/s1
SMILESCC(=CC=C(O)C(=O)O)C(=O)CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/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)/b11-3?,16-6?/t12-,13-,19-/m0/s1 Image of MNXM1371570
SMILES (mnx)[CH3:1][C:11](=[CH:3][CH:6]=[C:16]([C:18]([OH:24])=[O:25])[OH:22])[C:14]([CH2:7][CH2:4][C@H:12]1[C@@H:13]2[CH2:5][CH2:8][C:17](=[O:23])[C@@:19]2([CH3:2])[CH2:10][CH2:9][C:15]1=[O:21])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29086
chebi:29086
HRJXKKSJPNWKCP-JMERFSKESA-N 		3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid
3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate

sabiork.compound:7612
sabiorkM:7612
HRJXKKSJPNWKCP-JMERFSKESA-N 		3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
4,9-DSHA

CHEBI:58607
chebi:58607
SLM:000399823
slm:000399823
HRJXKKSJPNWKCP-JMERFSKESA-M 		3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate

chebi:11819
chebi:1512
chebi:20049 		secondary/obsolete/fantasy identifier