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spinosyn macrolactone

MNXM97608 is deprecated and replaced by MNXM819874
PropertiesImage
MNX_IDMNXM819874 Image of MNXM819874
referencemetacycM:CPD-14625
formulaC24H38O6
global charge0
mol weight422.562
InChIKeyFNIKCWYOGPPYQT-ZGLMDMDISA-N
InChIInChI=1S/C24H38O6/c1-3-21-13-10-15-23(28)18(2)22(27)14-9-12-20(26)17-19(25)11-7-5-4-6-8-16-24(29)30-21/h4-9,12,16,18-23,25-28H,3,10-11,13-15,17H2,1-2H3/b6-4+,7-5+,12-9+,16-8+/t18-,19+,20-,21-,22+,23-/m0/s1
SMILESCC[C@H]1CCC[C@H](O)[C@@H](C)[C@H](O)C/C=C/[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1
MNX internals
InChI (mnx)InChI=1/C24H38O6/c1-3-21-13-10-15-23(28)18(2)22(27)14-9-12-20(26)17-19(25)11-7-5-4-6-8-16-24(29)30-21/h4-9,12,16,18-23,25-28H,3,10-11,13-15,17H2,1-2H3/b6-4+,7-5+,12-9+,16-8+/t18-,19+,20-,21-,22+,23-/m0/s1 Image of MNXM819874
SMILES (mnx)[CH3:1][CH2:3][C@H:21]1[CH2:13][CH2:10][CH2:15][C@H:23]([OH:28])[C@@H:18]([CH3:2])[C@H:22]([OH:27])[CH2:14]/[CH:9]=[CH:12]/[C@H:20]([OH:26])[CH2:17][C@H:19]([OH:25])[CH2:11]/[CH:7]=[CH:5]/[CH:4]=[CH:6]/[CH:8]=[CH:16]/[C:24](=[O:29])[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14625
metacycM:CPD-14625
FNIKCWYOGPPYQT-ZGLMDMDISA-N 		spinosyn macrolactone
(3E,5E,7E,10R,12R,13E,16R,17R,18S,22S)-22-ethyl-10,12,16,18-tetrahydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraen-2-one

seed.compound:cpd32300
seedM:cpd32300
FNIKCWYOGPPYQT-ZGLMDMDISA-N 		(3E,5E,7E,10R,12R,13E,16R,17R,18S,22S)-22-ethyl-10,12,16,18-tetrahydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraen-2-one
spinosyn macrolactone

seedM:M_cpd32300 		secondary/obsolete/fantasy identifier