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Adunctin C

PropertiesImage
MNX_IDMNXM40365 Image of MNXM40365
referencechebi:186476
formulaC26H30O4
global charge0
mol weight406.522
InChIKeyNVHLTNASIPVGQS-AFMDSPMNSA-N
InChIInChI=1S/C26H30O4/c1-17(2)19-11-13-26(14-12-19)16-20-23(29-3)15-22(28)24(25(20)30-26)21(27)10-9-18-7-5-4-6-8-18/h4-8,11,13,15,17,19,28H,9-10,12,14,16H2,1-3H3/t19-,26+/m0/s1
SMILESCOC1=CC(O)=C(C(=O)CCC2=CC=CC=C2)C2=C1C[C@]1(C=C[C@H](C(C)C)CC1)O2
MNX internals
InChI (mnx)InChI=1/C26H30O4/c1-17(2)19-11-13-26(14-12-19)16-20-23(29-3)15-22(28)24(25(20)30-26)21(27)10-9-18-7-5-4-6-8-18/h4-8,11,13,15,17,19,28H,9-10,12,14,16H2,1-3H3/t19-,26+/m0/s1 Image of MNXM40365
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C@H:19]1[CH:11]=[CH:13][C@@:26]2([CH2:14][CH2:12]1)[CH2:16][C:20]1=[C:23]([O:29][CH3:3])[CH:15]=[C:22]([OH:28])[C:24]([C:21]([CH2:10][CH2:9][C:18]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)=[O:27])=[C:25]1[O:30]2
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:186476
chebi:186476
NVHLTNASIPVGQS-AFMDSPMNSA-N 		Adunctin C
1-[(2R,6'S)-6-hydroxy-4-methoxy-6'-propan-2-ylspiro[3H-1-benzouran-2,3'-cyclohexene]-7-yl]-3-phenylpropan-1-one

lipidmaps:LMPK12120507
lipidmapsM:LMPK12120507
NVHLTNASIPVGQS-AFMDSPMNSA-N 		Adunctin C