| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1378011 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C30H45O4 |
charge | -1 |
mass | 469.686 |
reference | metacycM:CPD-9470 |
InChIKey | QMHCWDVPABYZMC-UHFFFAOYSA-M |
InChI | InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/p-1 |
SMILES | [CH3:1][C:25]1([CH3:2])[CH2:13][CH2:15][C:30]2([C:24](=[O:33])[OH:34])[CH2:16][CH2:14][C:28]3([CH3:5])[C:19](=[CH:7][CH2:8][CH:22]4[C:26]5([CH3:3])[CH2:11][CH2:10][CH:23]([OH:32])[C:27]([CH3:4])([CH:18]=[O:31])[CH:21]5[CH2:9][CH2:12][C:29]43[CH3:6])[CH:20]2[CH2:17]1 |
|