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MNXM148075 is deprecated and here replaced by MNXM1368224
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368224 Image of MNXM1368224
referencemetacycM:CPD-17336
formulaC25H30O5
global charge0
mol weight410.51
InChIKeyPIZDGYFPLPPVBP-NPEZIVKXSA-N
InChIInChI=1S/C25H30O5/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(20)26/h7-8,13-14,16H,6,9-12H2,1-5H3/t13-,14-,16+,21-,22-,23-,24-,25+/m0/s1
SMILESCC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC[C@@]13C[C@@]4(C)C(=O)[C@@H]5C(=O)OC[C@]51[C@@](C)(C[C@@H]23)C4=O
MNX internals
InChI (mnx)InChI=1/C25H30O5/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(20)26/h7-8,13-14,16H,6,9-12H2,1-5H3/t13-,14-,16+,21-,22-,23?,24-,25+/m0/s1 Image of MNXM1368224
SMILES (mnx)[CH3:1][C:20]1([CH3:2])[C@@H:13]2[CH2:6][CH2:9][C@@:24]34[CH2:11][C@@:22]5([CH3:4])[C:17](=[O:27])[C@@H:16]6[C:18](=[O:28])[O:30][CH2:12][C@:25]63[C@@:23]([CH3:5])([CH2:10][C@H:14]4[C@@:21]2([CH3:3])[CH:8]=[CH:7][C:15]1=[O:26])[C:19]5=[O:29]
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-17336
metacycM:CPD-17336
PIZDGYFPLPPVBP-NPEZIVKXSA-N 		andiconin

CHEBI:232443
chebi:232443
PIZDGYFPLPPVBP-DMJMCBEISA-N 		andiconine