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Mellitoxin

PropertiesImage
MNX_IDMNXM61364 Image of MNXM61364
referencechebi:6737
formulaC15H18O7
global charge0
mol weight310.302
InChIKeyDWCJGLPGZULWPZ-GEETXFABSA-N
InChIInChI=1S/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7+,8-,9+,10-,12-,13+,14?,15-/m0/s1
SMILESC=C(C)C1(O)[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7+,8-,9+,10-,12-,13+,14?,15-/m0/s1 Image of MNXM61364
SMILES (mnx)[CH2:1]=[C:5]([CH3:2])[C:14]1([OH:18])[C@@H:6]2[C:11](=[O:17])[O:22][C@H:8]1[C@@H:7]([OH:16])[C@@:12]1([CH3:3])[C@@:13]3([CH2:4][O:20]3)[C@H:9]3[C@@H:10]([C@@:15]21[OH:19])[O:21]3
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

seed.compound:cpd06397
seedM:cpd06397
CHEBI:6737
chebi:6737
kegg.compound:C09502
keggC:C09502
DWCJGLPGZULWPZ-GEETXFABSA-N 		Mellitoxin
Hyenanchin

keggC:M_C09502
seedM:M_cpd06397 		secondary/obsolete/fantasy identifier