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4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione

PropertiesImage
MNX_IDMNXM4335 Image of MNXM4335
referencechebi:182415
formulaC19H24O3
global charge0
mol weight300.398
InChIKeyZWXONJFCJAGEBA-BXWFABGCSA-N
InChIInChI=1S/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15-,16-,19-/m0/s1
SMILESCC1=C(CC[C@@H]2C(=O)CC[C@]3(C)C(=O)CC[C@@H]23)C=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15-,16-,19-/m0/s1 Image of MNXM4335
SMILES (mnx)[CH3:1][C:12]1=[C:13]([CH2:4][CH2:6][C@H:15]2[C@@H:16]3[CH2:7][CH2:8][C:18](=[O:22])[C@@:19]3([CH3:2])[CH2:10][CH2:9][C:17]2=[O:21])[CH:11]=[C:14]([OH:20])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:182415
chebi:182415
ZWXONJFCJAGEBA-BXWFABGCSA-N 		4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methylhexahydro-1H-indene-1,5(4H)-dione
(3aS,4S,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione

envipath:...035b08c22fcb
envipathM:...035b08c22fcb
ZWXONJFCJAGEBA-BXWFABGCSA-N 		3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

seed.compound:cpd21183
seedM:cpd21183
ZWXONJFCJAGEBA-BXWFABGCSA-N 		3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
3-HSA
3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Secophenol

kegg.compound:C19944
keggC:C19944
ZWXONJFCJAGEBA-BXWFABGCSA-N 		3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Secophenol

SLM:000390221
slm:000390221
ZWXONJFCJAGEBA-RRSHCKCTSA-N 		3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

CHEBI:63245
chebi:63245
ZWXONJFCJAGEBA-RRSHCKCTSA-N 		3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
(8xi)-3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
9,10-secoandrosta-1,3,5(10)-triene-9,17-dione, 3-hydroxy-
secophenol

metacyc.compound:CPD-13708
metacycM:CPD-13708
ZWXONJFCJAGEBA-BXWFABGCSA-N 		3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
3-HSA

keggC:M_C19944
seedM:M_cpd21183 		secondary/obsolete/fantasy identifier