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Spirohexenolide B

Properties Image MNX_ID MNXM1382023 reference chebi:199662 formula C25H28O4 global charge 0 mol weight 392.495 InChIKey HFHJEHWFJWGNEW-MGNNCBNQSA-N InChI InChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3/b8-6+,16-12+,19-9+,21-20-/t18-,24-,25+/m0/s1 SMILES CC1=C[C@]2(C)/C=C(C)/C=C/CC/C=C3\C=C/C(=C4/C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 MNX internals InChI (mnx) InChI=1/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3/b8-6+,16-12+,19-9+,21-20-/t18-,24-,25+/m0/s1 SMILES (mnx) [CH2:1]=[C:2]1[CH2:3][C@:5]23[C:7](=[CH2:12])/[C:4]1=[C:6]1/[CH2:10][CH2:17]/[C:22](=[O:26]/[O:28][O:29]/[O:27]=[CH:23]/[C:19]([CH3:24])=[CH:13]/[C@@:8]2([CH3:15])[CH:14]=[C:20]([CH3:25])[C@H:16]([CH3:21])[CH2:9]3)[CH:18]=[CH:11]1

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

Identifier	Description
CHEBI:199662 chebi:199662 HFHJEHWFJWGNEW-MGNNCBNQSA-N	Spirohexenolide B (1E,5S,7S,10R,11E,13E,17Z)-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione