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(6aS,12aS)-9-hydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6a,12a-dihydro-6H-[1]benzopyrano[3,4-b][1]benzopyran-12-one

PropertiesImage
MNX_IDMNXM6424 Image of MNXM6424
referencechebi:92599
formulaC23H24O6
global charge0
mol weight396.439
InChIKeyGBVCHRDRVDOMQV-RTWAWAEBSA-N
InChIInChI=1S/C23H24O6/c1-12(2)5-6-13-16(24)8-7-14-22(25)21-15-9-18(26-3)19(27-4)10-17(15)28-11-20(21)29-23(13)14/h5,7-10,20-21,24H,6,11H2,1-4H3/t20-,21+/m1/s1
SMILESCOC1=C(OC)C=C2C(=C1)OC[C@H]1OC3=C(C=CC(O)=C3CC=C(C)C)C(=O)[C@@H]21
MNX internals
InChI (mnx)InChI=1/C23H24O6/c1-12(2)5-6-13-16(24)8-7-14-22(25)21-15-9-18(26-3)19(27-4)10-17(15)28-11-20(21)29-23(13)14/h5,7-10,20-21,24H,6,11H2,1-4H3/t20-,21+/m1/s1 Image of MNXM6424
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:5][CH2:6][C:13]1=[C:16]([OH:24])[CH:8]=[CH:7][C:14]2=[C:23]1[O:29][C@@H:20]1[CH2:11][O:28][C:17]3=[CH:10][C:19]([O:27][CH3:4])=[C:18]([O:26][CH3:3])[CH:9]=[C:15]3[C@@H:21]1[C:22]2=[O:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:92599
chebi:92599
GBVCHRDRVDOMQV-RTWAWAEBSA-N
(6aS,12aS)-9-hydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6a,12a-dihydro-6H-[1]benzopyrano[3,4-b][1]benzopyran-12-one

metacyc.compound:CPD-9534
metacycM:CPD-9534
seed.compound:cpd25723
seedM:cpd25723
GBVCHRDRVDOMQV-RTWAWAEBSA-M
GBVCHRDRVDOMQV-RTWAWAEBSA-N
rot-2'-enonate
rot-2'-enonic acid

seedM:M_cpd25723
secondary/obsolete/fantasy identifier