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(-)-phaseollinisoflavan

PropertiesImage
MNX_IDMNXM30336 Image of MNXM30336
referencechebi:109
formulaC20H20O4
global charge0
mol weight324.376
InChIKeyUUJBHSNXZMGYBT-ZDUSSCGKSA-N
InChIInChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
SMILESCC1(C)C=CC2=C(O)C([C@@H]3COC4=C(C=CC(O)=C4)C3)=CC=C2O1
MNX internals
InChI (mnx)InChI=1/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 Image of MNXM30336
SMILES (mnx)[CH3:1][C:20]1([CH3:2])[CH:8]=[CH:7][C:16]2=[C:17]([CH:6]=[CH:5][C:15]([C@H:13]3[CH2:9][C:12]4=[C:18]([CH:10]=[C:14]([OH:21])[CH:4]=[CH:3]4)[O:23][CH2:11]3)=[C:19]2[OH:22])[O:24]1
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:109
chebi:109
UUJBHSNXZMGYBT-ZDUSSCGKSA-N 		(-)-phaseollinisoflavan
(3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol

seed.compound:cpd07401
seedM:cpd07401
kegg.compound:C10515
keggC:C10515
lipidmaps:LMPK12080014
lipidmapsM:LMPK12080014
UUJBHSNXZMGYBT-ZDUSSCGKSA-N 		(-)-Phaseollinisoflavan
hmdb:HMDB0034411
UUJBHSNXZMGYBT-UHFFFAOYSA-N 		Phaseollinisoflavan
(-)-Phaseollinisoflavan
3,4-dihydro-2,2-Dimethyl[3,6'-bi-2H-1-benzopyran]-5',7-diol, 9ci
6-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,2-dimethyl-2H-chromen-5-ol
6-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,2-dimethylchromen-5-ol
Phaseolinisoflavan
Phaseollin

hmdb:HMDB34411
keggC:M_C10515
seedM:M_cpd07401 		secondary/obsolete/fantasy identifier