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1-Methoxyphaseollidin

PropertiesImage
MNX_IDMNXM32841 Image of MNXM32841
referencechebi:175554
formulaC21H22O5
global charge0
mol weight354.402
InChIKeyYKTZRMXYANFKQR-YCRPNKLZSA-N
InChIInChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1
SMILESCOC1=CC(O)=CC2=C1[C@@H]1OC3=C(C=CC(O)=C3CC=C(C)C)[C@@H]1CO2
MNX internals
InChI (mnx)InChI=1/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1 Image of MNXM32841
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:4][CH2:5][C:14]1=[C:16]([OH:23])[CH:7]=[CH:6][C:13]2=[C:20]1[O:26][C@@H:21]1[C@H:15]2[CH2:10][O:25][C:18]2=[CH:9][C:12]([OH:22])=[CH:8][C:17]([O:24][CH3:3])=[C:19]21
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:175554
chebi:175554
YKTZRMXYANFKQR-YCRPNKLZSA-N 		1-Methoxyphaseollidin
(6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,9-diol

lipidmaps:LMPK12070094
lipidmapsM:LMPK12070094
YKTZRMXYANFKQR-UHFFFAOYSA-N 		1-Methoxyphaseollidin
3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan
hmdb:HMDB0029319
YKTZRMXYANFKQR-UHFFFAOYSA-N 		1-Methoxyphaseollidin
3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan
3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

hmdb:HMDB29319 		secondary/obsolete/fantasy identifier