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

PropertiesImage
MNX_IDMNXM1371572 Image of MNXM1371572
referenceseedM:cpd02941
formulaC19H23O6
global charge-1
mol weight347.387
InChIKeyYMCUGPRWKJDCIM-HQXUMEMQSA-M
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/h3,6,11-13H,4-5,7-10H2,1-2H3,(H,24,25)/p-1/t11?,12-,13-,19-/m0/s1
SMILESCC(C=CC(=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/h3,6,11-13H,4-5,7-10H2,1-2H3,(H,24,25)/b6-3?/t11?,12-,13-,19-/m0/s1 Image of MNXM1371572
SMILES (mnx)[CH3:1][CH:11]([CH:3]=[CH:6][C:16]([C:18]([OH:24])=[O:25])=[O: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

seed.compound:cpd02941
seedM:cpd02941
YMCUGPRWKJDCIM-HQXUMEMQSA-M 		3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
(1E,2Z)-3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate
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
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
DSHA

seedM:M_cpd02941 		secondary/obsolete/fantasy identifier