Search MNXref
 Feedback

Phenolic steroid

PropertiesImage
MNX_IDMNXM33595 Image of MNXM33595
referencekeggC:C02453
formulaC18H24O
global charge0
mol weight256.389
InChIKeyHJKVPZJVBHWFCQ-UHFFFAOYSA-N
InChIInChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3
SMILESCC12CCCC1C1CCC3=C(C=CC(O)=C3)C1CC2
MNX internals
InChI (mnx)InChI=1/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15?,16?,17?,18? Image of MNXM33595
SMILES (mnx)[CH3:1][C:18]12[CH2:9][CH2:2][CH2:3][CH:17]1[CH:16]1[CH2:6][CH2:4][C:12]3=[CH:11][C:13]([OH:19])=[CH:5][CH:7]=[C:14]3[CH:15]1[CH2:8][CH2:10]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C02453
keggC:C02453
HJKVPZJVBHWFCQ-UHFFFAOYSA-N
Phenolic steroid
hmdb:HMDB0244763
HJKVPZJVBHWFCQ-UHFFFAOYSA-N
17-Deoxyestradiol
15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-ol

seed.compound:cpd01615
seedM:cpd01615
HJKVPZJVBHWFCQ-UHFFFAOYSA-N
Phenolic steroid
a phenolic steroid

metacyc.compound:PHENOLIC-STEROID
metacycM:PHENOLIC-STEROID
HJKVPZJVBHWFCQ-UHFFFAOYSA-N
a phenolic steroid

CHEBI:177917
chebi:177917
a phenolic steroid
phenolic steroid
phenolic steroids

chebi:25968
chebi:8074
keggC:M_C02453
seedM:M_cpd01615
secondary/obsolete/fantasy identifier