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nivalenol

MNXM12470 is deprecated and here replaced by MNXM1107728
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107728 Image of MNXM1107728
referencemetacycM:CPD-18427
formulaC15H20O7
global charge0
mol weight312.318
InChIKeyUKOTXHQERFPCBU-XLYGLCRNSA-N
InChIInChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15?/m1/s1
SMILESCC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C34CO4)[C@@]2(CO)[C@H](O)C1=O
MNX internals
InChI (mnx)InChI=1/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15?/m1/s1 Image of MNXM1107728
SMILES (mnx)[CH3:1][C:6]1=[CH:3][C@@H:7]2[C@:14]([CH2:4][OH:16])([C@H:11]([OH:20])[C:8]1=[O:17])[C@@:13]1([CH3:2])[C@H:10]([OH:19])[C@@H:9]([OH:18])[C@H:12]([C:15]13[CH2:5][O:21]3)[O:22]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-18427
metacycM:CPD-18427
seed.compound:cpd33719
seedM:cpd33719
UKOTXHQERFPCBU-XLYGLCRNSA-N 		nivalenol

seedM:M_cpd33719 		secondary/obsolete/fantasy identifier