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collinusin

PropertiesImage
MNX_IDMNXM10393 Image of MNXM10393
referencemetacycM:CPD-13465
formulaC21H18O6
global charge0
mol weight366.369
InChIKeyTYNZRPOBMSNIAX-UHFFFAOYSA-N
InChIInChI=1S/C21H18O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13H,5,9-10H2,1-2H3
SMILESCOC1=C(OC)C=C2C(=C1)CC1COC(=O)C1=C2C1=CC=C2OCOC2=C1
MNX internals
InChI (mnx)InChI=1/C21H18O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13H,5,9-10H2,1-2H3/t13? Image of MNXM10393
SMILES (mnx)[CH3:1][O:23][C:16]1=[C:17]([O:24][CH3:2])[CH:8]=[C:14]2[C:12](=[CH:7]1)[CH2:5][CH:13]1[CH2:9][O:25][C:21](=[O:22])[C:20]1=[C:19]2[C:11]1=[CH:6][C:18]2=[C:15]([CH:4]=[CH:3]1)[O:26][CH2:10][O:27]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-13465
metacycM:CPD-13465
TYNZRPOBMSNIAX-UHFFFAOYSA-N 		collinusin
7(8)-dihydrojusticidin B

seed.compound:cpd23894
seedM:cpd23894
TYNZRPOBMSNIAX-UHFFFAOYSA-N 		7(8)-dihydrojusticidin B
collinusin

seedM:M_cpd23894 		secondary/obsolete/fantasy identifier