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chondrochloren B

MNXM164678 is deprecated and here replaced by MNXM731046
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731046 Image of MNXM731046
referencechebi:132442
formulaC28H42ClNO7
global charge0
mol weight540.097
InChIKeyBIBQKWSSQXEIHK-IRFDLBBPSA-N
InChIInChI=1S/C28H42ClNO7/c1-7-9-10-17(3)24(32)19(5)25(33)18(4)15-23(36-6)26(34)27(37-8-2)28(35)30-14-13-20-11-12-22(31)21(29)16-20/h11-17,19,23-24,26-27,31-32,34H,7-10H2,1-6H3,(H,30,35)/b14-13-,18-15+/t17-,19+,23-,24+,26-,27-/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](OCC)C(=O)N/C=C\C1=CC(Cl)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C28H42ClNO7/c1-7-9-10-17(3)24(32)19(5)25(33)18(4)15-23(36-6)26(34)27(37-8-2)28(35)30-14-13-20-11-12-22(31)21(29)16-20/h11-17,19,23-24,26-27,31-32,34H,7-10H2,1-6H3,(H,30,35)/b14-13-,18-15+/t17-,19+,23-,24+,26-,27-/m1/s1 Image of MNXM731046
SMILES (mnx)[CH3:1][CH2:7][CH2:9][CH2:10][C@@H:17]([CH3:3])[C@@H:24]([C@H:19]([CH3:5])[C:25](/[C:18]([CH3:4])=[CH:15]/[C@H:23]([C@H:26]([C@H:27](/[C:28](=[N:30]/[CH:14]=[CH:13]\[C:20]1=[CH:16][C:21]([Cl:29])=[C:22]([OH:31])[CH:12]=[CH:11]1)[OH:35])[O:37][CH2:8][CH3:2])[OH:34])[O:36][CH3:6])=[O:33])[OH:32]
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:132442
chebi:132442
BIBQKWSSQXEIHK-IRFDLBBPSA-N 		chondrochloren B
(2R,3R,4R,5E,8S,9S,10R)-N-[(Z)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-2-ethoxy-3,9-dihydroxy-4-methoxy-6,8,10-trimethyl-7-oxotetradec-5-enamide

metacyc.compound:CPD-18433
metacycM:CPD-18433
seed.compound:cpd35428
seedM:cpd35428
BIBQKWSSQXEIHK-YIVCCVPUSA-N 		chondrochloren B

seedM:M_cpd35428 		secondary/obsolete/fantasy identifier