Squamocin K

Properties Image MNX_ID MNXM130890 reference chebi:172753 formula C35H62O6 global charge 0 mol weight 578.875 InChIKey QAVQPBYIAQGAIO-UHFFFAOYSA-N InChI InChI=1S/C35H62O6/c1-3-4-5-6-7-11-14-17-20-29(36)31-22-24-33(40-31)34-25-23-32(41-34)30(37)21-18-15-12-9-8-10-13-16-19-28-26-27(2)39-35(28)38/h26-27,29-34,36-37H,3-25H2,1-2H3 SMILES CCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCC3=CC(C)OC3=O)O2)O1 MNX internals InChI (mnx) InChI=1/C35H62O6/c1-3-4-5-6-7-11-14-17-20-29(36)31-22-24-33(40-31)34-25-23-32(41-34)30(37)21-18-15-12-9-8-10-13-16-19-28-26-27(2)39-35(28)38/h26-27,29-34,36-37H,3-25H2,1-2H3/t27?,29?,30?,31?,32?,33?,34? SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:11][CH2:14][CH2:17][CH2:20][CH:29]([CH:31]1[CH2:22][CH2:24][CH:33]([CH:34]2[CH2:25][CH2:23][CH:32]([CH:30]([CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:8][CH2:10][CH2:13][CH2:16][CH2:19][C:28]3=[CH:26][CH:27]([CH3:2])[O:39][C:35]3=[O:38])[OH:37])[O:41]2)[O:40]1)[OH:36]

Parent-child relations graph

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