| Properties | Image | with InChI numbering | Occurences in reactions |
MNX_ID | MNXM1379457 |
 |
 |
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 6 |
in models (compartimentalized) |
0 |
|
formula | C30H49O7P2 |
charge | -3 |
mass | 583.661 |
reference | metacycM:CPD-465 |
InChIKey | ATZKAUGGNMSCCY-VHAZJVCSSA-K |
InChI | InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/p-3/b25-17+,26-19+,27-21+ |
SMILES | [CH3:1][C:23]([CH3:2])=[CH:13][CH2:9][CH2:15]/[C:25]([CH3:5])=[CH:17]/[CH2:11][CH2:18]/[C:27]([CH3:7])=[CH:21]/[CH:28]1[CH:29]([CH2:22][O:36][P:39]([OH:34])(=[O:35])[O:37][P:38]([OH:31])([OH:32])=[O:33])[C:30]1([CH3:8])[CH2:20][CH2:12]/[CH:19]=[C:26](\[CH3:6])[CH2:16][CH2:10][CH:14]=[C:24]([CH3:3])[CH3:4] |
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