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Canescacarpin

MNXM5170 is deprecated and here replaced by MNXM45381
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM45381 Image of MNXM45381
referencelipidmapsM:LMPK12070110
formulaC20H18O5
global charge0
mol weight338.359
InChIKeyMIYTVBARXCVVHZ-UIAACRFSSA-N
InChIInChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19+,20-/m1/s1
SMILESC=C(C)[C@H]1CC2=C(C=C3OC[C@@]4(O)C5=CC=C(O)C=C5O[C@H]4C3=C2)O1
MNX internals
InChI (mnx)InChI=1/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19+,20-/m1/s1 Image of MNXM45381
SMILES (mnx)[CH2:1]=[C:10]([CH3:2])[C@H:15]1[CH2:6][C:11]2=[C:16]([CH:8]=[C:17]3[C:13](=[CH:5]2)[C@H:19]2[C@@:20]([OH:22])([CH2:9][O:23]3)[C:14]3=[C:18]([CH:7]=[C:12]([OH:21])[CH:3]=[CH:4]3)[O:25]2)[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

lipidmaps:LMPK12070110
lipidmapsM:LMPK12070110
MIYTVBARXCVVHZ-UIAACRFSSA-N 		Canescacarpin
hmdb:HMDB0034041
MIYTVBARXCVVHZ-UHFFFAOYSA-N 		Glyceollin III
1,2-dihydro-2-(1-Methylethenyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11ah)-diol, 9ci
6-(prop-1-en-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol
glyceollin III

hmdb:HMDB34041 		secondary/obsolete/fantasy identifier