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chondrochloren A

MNXM164677 is deprecated and here replaced by MNXM731044
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731044 Image of MNXM731044
referencechebi:132426
formulaC27H40ClNO7
global charge0
mol weight526.07
InChIKeyFYBGSKAWXCBCIQ-JRAUAZSASA-N
InChIInChI=1S/C27H40ClNO7/c1-7-8-9-16(2)23(31)18(4)24(32)17(3)14-22(35-5)25(33)26(36-6)27(34)29-13-12-19-10-11-21(30)20(28)15-19/h10-16,18,22-23,25-26,30-31,33H,7-9H2,1-6H3,(H,29,34)/b13-12-,17-14+/t16-,18+,22-,23+,25-,26-/m1/s1
SMILESCCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N/C=C\C1=CC(Cl)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C27H40ClNO7/c1-7-8-9-16(2)23(31)18(4)24(32)17(3)14-22(35-5)25(33)26(36-6)27(34)29-13-12-19-10-11-21(30)20(28)15-19/h10-16,18,22-23,25-26,30-31,33H,7-9H2,1-6H3,(H,29,34)/b13-12-,17-14+/t16-,18+,22-,23+,25-,26-/m1/s1 Image of MNXM731044
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][C@@H:16]([CH3:2])[C@@H:23]([C@H:18]([CH3:4])[C:24](/[C:17]([CH3:3])=[CH:14]/[C@H:22]([C@H:25]([C@H:26](/[C:27](=[N:29]/[CH:13]=[CH:12]\[C:19]1=[CH:15][C:20]([Cl:28])=[C:21]([OH:30])[CH:11]=[CH:10]1)[OH:34])[O:36][CH3:6])[OH:33])[O:35][CH3:5])=[O:32])[OH:31]
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

CHEBI:132426
chebi:132426
FYBGSKAWXCBCIQ-JRAUAZSASA-N 		chondrochloren A
(2R,3R,4R,5E,8S,9S,10R)-N-[(Z)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-3,9-dihydroxy-2,4-dimethoxy-6,8,10-trimethyl-7-oxotetradec-5-enamide

metacyc.compound:CPD-18432
metacycM:CPD-18432
seed.compound:cpd32193
seedM:cpd32193
FYBGSKAWXCBCIQ-WRUBCGJGSA-N 		chondrochloren A

seedM:M_cpd32193 		secondary/obsolete/fantasy identifier