Search MNXref
 Feedback

nigrasin j

PropertiesImage
MNX_IDMNXM107256 Image of MNXM107256
referencechebi:68021
formulaC26H28O8
global charge0
mol weight468.502
InChIKeyZFZCFFNYBORJLD-DQUNLGLBSA-N
InChIInChI=1S/C26H28O8/c1-13(2)6-5-9-26(3,31)20-12-16-15(7-8-17(28)23(16)34-20)24-25(32-4)22(30)21-18(29)10-14(27)11-19(21)33-24/h6-8,10-11,20,27-29,31H,5,9,12H2,1-4H3/t20-,26?/m0/s1
SMILESCOC1=C(C2=CC=C(O)C3=C2C[C@@H](C(C)(O)CCC=C(C)C)O3)OC2=CC(O)=CC(O)=C2C1=O
MNX internals
InChI (mnx)InChI=1/C26H28O8/c1-13(2)6-5-9-26(3,31)20-12-16-15(7-8-17(28)23(16)34-20)24-25(32-4)22(30)21-18(29)10-14(27)11-19(21)33-24/h6-8,10-11,20,27-29,31H,5,9,12H2,1-4H3/t20-,26?/m0/s1 Image of MNXM107256
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:6][CH2:5][CH2:9][C:26]([CH3:3])([C@@H:20]1[CH2:12][C:16]2=[C:15]([C:24]3=[C:25]([O:32][CH3:4])[C:22](=[O:30])[C:21]4=[C:18]([OH:29])[CH:10]=[C:14]([OH:27])[CH:11]=[C:19]4[O:33]3)[CH:7]=[CH:8][C:17]([OH:28])=[C:23]2[O:34]1)[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68021
chebi:68021
ZFZCFFNYBORJLD-DQUNLGLBSA-N 		nigrasin j
5,7-dihydroxy-2-[(2S)-7-hydroxy-2-(2-hydroxy-6-methylhept-5-en-2-yl)-2,3-dihydro-1-benzofuran-4-yl]-3-methoxy-4H-chromen-4-one