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(-)-cubebin

PropertiesImage
MNX_IDMNXM47861 Image of MNXM47861
referencechebi:65684
formulaC20H20O6
global charge0
mol weight356.374
InChIKeyDIYWRNLYKJKHAM-MDOVXXIYSA-N
InChIInChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
SMILESO[C@H]1OC[C@H](CC2=CC3=C(C=C2)OCO3)[C@H]1CC1=CC2=C(C=C1)OCO2
MNX internals
InChI (mnx)InChI=1/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1 Image of MNXM47861
SMILES (mnx)[CH:1]1=[CH:3][C:16]2=[C:18]([CH:7]=[C:12]1[CH2:5][C@H:14]1[CH2:9][O:22][C@H:20]([OH:21])[C@@H:15]1[CH2:6][C:13]1=[CH:8][C:19]3=[C:17]([CH:4]=[CH:2]1)[O:24][CH2:11][O:26]3)[O:25][CH2:10][O:23]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:65684
chebi:65684
DIYWRNLYKJKHAM-MDOVXXIYSA-N 		(-)-cubebin
(2S,3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol
(8R,8'R,9S)-cubebin
3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan
beta-cubebin

seed.compound:cpd07435
seedM:cpd07435
kegg.compound:C10549
keggC:C10549
DIYWRNLYKJKHAM-MDOVXXIYSA-N 		Cubebin
hmdb:HMDB0030682
DIYWRNLYKJKHAM-UHFFFAOYSA-N 		Cubebin
(-)-Cubebin
3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-2-furanol
3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-2-furanol, 9ci
3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan
Cubebine
b-Cubebin
tetrahydro-3,4-Dipiperonyl-2-furanol
tetrahydro-3,4-Dipiperonylfuran-2-ol

hmdb:HMDB30682
keggC:M_C10549
seedM:M_cpd07435 		secondary/obsolete/fantasy identifier