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nigrasin H

PropertiesImage
MNX_IDMNXM107254 Image of MNXM107254
referencechebi:68019
formulaC25H26O6
global charge0
mol weight422.477
InChIKeyFJZJTEHPYMIMST-CYBMUJFWSA-N
InChIInChI=1S/C25H26O6/c1-12(2)6-8-16-22(29)20-18(28)11-19-21(25(4,5)13(3)30-19)24(20)31-23(16)15-9-7-14(26)10-17(15)27/h6-7,9-11,13,26-28H,8H2,1-5H3/t13-/m1/s1
SMILESCC(C)=CCC1=C(C2=C(O)C=C(O)C=C2)OC2=C(C1=O)C(O)=CC1=C2C(C)(C)[C@@H](C)O1
MNX internals
InChI (mnx)InChI=1/C25H26O6/c1-12(2)6-8-16-22(29)20-18(28)11-19-21(25(4,5)13(3)30-19)24(20)31-23(16)15-9-7-14(26)10-17(15)27/h6-7,9-11,13,26-28H,8H2,1-5H3/t13-/m1/s1 Image of MNXM107254
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:6][CH2:8][C:16]1=[C:23]([C:15]2=[C:17]([OH:27])[CH:10]=[C:14]([OH:26])[CH:7]=[CH:9]2)[O:31][C:24]2=[C:20]([C:18]([OH:28])=[CH:11][C:19]3=[C:21]2[C:25]([CH3:4])([CH3:5])[C@@H:13]([CH3:3])[O:30]3)[C:22]1=[O:29]
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:68019
chebi:68019
FJZJTEHPYMIMST-CYBMUJFWSA-N 		nigrasin H
(8R*)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,9,9-trimethyl-3-(3-methylbut-2-en-1-yl)-8,9-dihydro-4H-furo[2,3-h]chromen-4-one