7alpha-hydroperoxy manool

Properties Image MNX_ID MNXM102201 reference chebi:66025 formula C20H34O3 global charge 0 mol weight 322.489 InChIKey FVWMAXFFGJNFQF-SQIBXOBRSA-N InChI InChI=1S/C20H34O3/c1-7-19(5,21)12-9-15-14(2)16(23-22)13-17-18(3,4)10-8-11-20(15,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16+,17-,19-,20+/m0/s1 SMILES C=C[C@](C)(O)CC[C@H]1C(=C)[C@H](OO)C[C@H]2C(C)(C)CCC[C@]12C MNX internals InChI (mnx) InChI=1/C20H34O3/c1-7-19(5,21)12-9-15-14(2)16(23-22)13-17-18(3,4)10-8-11-20(15,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16+,17-,19-,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:7][C@@:19]([CH3:5])([CH2:12][CH2:9][C@H:15]1[C:14](=[CH2:2])[C@H:16]([O:23][OH:22])[CH2:13][C@H:17]2[C:18]([CH3:3])([CH3:4])[CH2:10][CH2:8][CH2:11][C@:20]12[CH3:6])[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0