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PropertiesImage
MNX_IDMNXM1372448 Image of MNXM1372448
referencechebi:9420
formulaC20H28O3
global charge0
mol weight316.441
InChIKeyQEAIMIKGLGBTSA-ADLFWFRXSA-N
InChIInChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1
SMILESCC(C)C1=CC2=C[C@H](O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O
MNX internals
InChI (mnx)InChI=1/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1 Image of MNXM1372448
SMILES (mnx)[CH3:1][CH:11]([CH3:2])[C:13]1=[CH:9][C:12]2=[CH:10][C@H:14]([OH:21])[C@H:18]3[C:19]([CH3:3])([CH3:4])[CH2:7][CH2:6][CH2:8][C@:20]3([CH3:5])[C:15]2=[C:17]([OH:23])[C:16]1=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9420
chebi:9420
QEAIMIKGLGBTSA-ADLFWFRXSA-N 		Taxodone

kegg.compound:C09196
keggC:C09196
QEAIMIKGLGBTSA-ADLFWFRXSA-N 		Taxodone
6,11-Dihydroxyabieta-7,9(11),13-trien-12-one

keggC:M_C09196 		secondary/obsolete/fantasy identifier