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spinosyn tricyclic macrolactone

PropertiesImage
MNX_IDMNXM97609 Image of MNXM97609
referencemetacycM:CPD-14629
formulaC24H34O5
global charge0
mol weight402.531
InChIKeyBINMOURRBYQUKD-MBPIVLONSA-N
InChIInChI=1S/C24H34O5/c1-3-19-5-4-6-22(26)15(2)23(27)11-10-20-16(9-12-24(28)29-19)7-8-17-13-18(25)14-21(17)20/h7-12,15-22,25-26H,3-6,13-14H2,1-2H3/b11-10+,12-9+/t15-,16+,17-,18-,19+,20-,21-,22+/m1/s1
SMILESCC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)/C=C/[C@H]2[C@@H]3C[C@H](O)C[C@H]3C=C[C@H]2/C=C/C(=O)O1
MNX internals
InChI (mnx)InChI=1/C24H34O5/c1-3-19-5-4-6-22(26)15(2)23(27)11-10-20-16(9-12-24(28)29-19)7-8-17-13-18(25)14-21(17)20/h7-12,15-22,25-26H,3-6,13-14H2,1-2H3/b11-10+,12-9+/t15-,16+,17-,18-,19+,20-,21-,22+/m1/s1 Image of MNXM97609
SMILES (mnx)[CH3:1][CH2:3][C@H:19]1[CH2:5][CH2:4][CH2:6][C@H:22]([OH:26])[C@@H:15]([CH3:2])[C:23](=[O:27])/[CH:11]=[CH:10]/[C@@H:20]2[C@@H:16]([CH:7]=[CH:8][C@@H:17]3[CH2:13][C@@H:18]([OH:25])[CH2:14][C@H:21]32)/[CH:9]=[CH:12]/[C:24](=[O:28])[O:29]1
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-14629
metacycM:CPD-14629
BINMOURRBYQUKD-MBPIVLONSA-N 		spinosyn tricyclic macrolactone
(2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-2,14-dihydroxy-15-methyl-1H,2H,3H,3aH,5aH,8H,10H,11H,12H,13H,14H,15H,16H,18aH,18bH-indeno[5,4-e]oxacyclopentadecane-8,16-dione

seed.compound:cpd35755
seedM:cpd35755
BINMOURRBYQUKD-MBPIVLONSA-N 		(2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-2,14-dihydroxy-15-methyl-1H,2H,3H,3aH,5aH,8H,10H,11H,12H,13H,14H,15H,16H,18aH,18bH-indeno[5,4-e]oxacyclopentadecane-8,16-dione
spinosyn tricyclic macrolactone

seedM:M_cpd35755 		secondary/obsolete/fantasy identifier