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12-Methoxy-8,11,13-abietatrien-20,11-olide

PropertiesImage
MNX_IDMNXM116138 Image of MNXM116138
referencechebi:174435
formulaC21H28O3
global charge0
mol weight328.452
InChIKeyNRKDGGOZWKDHMW-UHFFFAOYSA-N
InChIInChI=1S/C21H28O3/c1-11(2)14-10-12-6-7-15-17-13(8-9-21(15,3)4)20(22)24-19(16(12)17)18(14)23-5/h10-11,13,15,17H,6-9H2,1-5H3
SMILESCOC1=C(C(C)C)C=C2CCC3C4C2=C1OC(=O)C4CCC3(C)C
MNX internals
InChI (mnx)InChI=1/C21H28O3/c1-11(2)14-10-12-6-7-15-17-13(8-9-21(15,3)4)20(22)24-19(16(12)17)18(14)23-5/h10-11,13,15,17H,6-9H2,1-5H3/t13?,15?,17? Image of MNXM116138
SMILES (mnx)[CH3:1][CH:11]([CH3:2])[C:14]1=[C:18]([O:23][CH3:5])[C:19]2=[C:16]3[C:12](=[CH:10]1)[CH2:6][CH2:7][CH:15]1[CH:17]3[CH:13]([CH2:8][CH2:9][C:21]1([CH3:3])[CH3:4])[C:20](=[O:22])[O:24]2
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:174435
chebi:174435
NRKDGGOZWKDHMW-UHFFFAOYSA-N 		12-Methoxy-8,11,13-abietatrien-20,11-olide
14-methoxy-7,7-dimethyl-13-propan-2-yl-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),11,13-trien-3-one
hmdb:HMDB0038391
NRKDGGOZWKDHMW-UHFFFAOYSA-N 		12-Methoxy-8,11,13-abietatrien-20,11-olide
13-isopropyl-14-methoxy-7,7-dimethyl-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),11,13-trien-3-one
14-methoxy-7,7-dimethyl-13-(propan-2-yl)-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),11,13-trien-3-one
3',5,7-Trihydroxy-4'-methoxy-8-(4-hydroxyprenyl)isoflavone

hmdb:HMDB38391 		secondary/obsolete/fantasy identifier