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sch210971

MNXM108721 is deprecated and here replaced by MNXM1370968
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370968 Image of MNXM1370968
referencemetacycM:CPD-18284
formulaC25H33NO6
global charge-2
mol weight443.54
InChIKeyAVZATKWNGXCSDN-JNFXHYFKSA-L
InChIInChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/p-2/b13-6-,22-20-/t12-,14+,15-,16+,17-,18-,19-,25+/m1/s1
SMILESC/C=C(/C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C([O-])=C1/C(=O)N[C@H](C[C@](C)(O)C(=O)[O-])C1=O
MNX internals
InChI (mnx)InChI=1/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6-,22-20-/t12-,14+,15-,16+,17-,18-,19-,25+/m1/s1 Image of MNXM1370968
SMILES (mnx)[CH3:1]/[CH:6]=[C:13](/[CH3:3])[C@@H:16]1[CH:8]=[CH:7][C@@H:15]2[CH2:10][C@H:12]([CH3:2])[CH2:9][C@H:14]([CH3:4])[C@H:18]2[C@@H:19]1/[C:22](=[C:20]1\[C:21](=[O:27])[C@@H:17]([CH2:11][C@@:25]([CH3:5])([C:24](=[O:30])[OH:31])[OH:32])[N:26]=[C:23]1[OH:29])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18284
metacycM:CPD-18284
AVZATKWNGXCSDN-JNFXHYFKSA-L 		sch210971