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(+)-piperitol

PropertiesImage
MNX_IDMNXM7909 Image of MNXM7909
referencechebi:141003
formulaC20H20O6
global charge0
mol weight356.374
InChIKeyVBIRCRCPHNUJAS-AFHBHXEDSA-N
InChIInChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1
SMILESCOC1=C(O)C=CC([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C2=CC3=C(C=C2)OCO3)=C1
MNX internals
InChI (mnx)InChI=1/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1 Image of MNXM7909
SMILES (mnx)[CH3:1][O:22][C:17]1=[C:15]([OH:21])[CH:4]=[CH:2][C:11]([C@@H:19]2[C@H:13]3[CH2:8][O:24][C@H:20]([C:12]4=[CH:7][C:18]5=[C:16]([CH:5]=[CH:3]4)[O:25][CH2:10][O:26]5)[C@H:14]3[CH2:9][O:23]2)=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141003
chebi:141003
VBIRCRCPHNUJAS-AFHBHXEDSA-N 		(+)-piperitol
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenol
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

kegg.compound:C21954
keggC:C21954
VBIRCRCPHNUJAS-AFHBHXEDSA-N 		(+)-Piperitol

metacyc.compound:CPD-8921
metacycM:CPD-8921
seed.compound:cpd25490
seedM:cpd25490
VBIRCRCPHNUJAS-AFHBHXEDSA-N 		(+)-piperitol

keggC:M_C21954
seedM:M_cpd25490 		secondary/obsolete/fantasy identifier