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7,8-dihydroxycalonectrin
MNXM164386 is deprecated and here replaced by MNXM1106930
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1106930 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
0 |
|
formula | C19H26O8 |
charge | 0 |
mass | 382.16277 |
reference | metacycM:CPD-18417 |
InChIKey | JSKXQQKSUOVSKS-SVFUTFETSA-N |
InChI | InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13-,14-,15-,16-,17-,18-,19?/m1/s1 |
SMILES | CC(=O)OC[C@]12[C@H](O)[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)C12CO2 |
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Parent-child relations graph |
Deprecated MNXref IDs graph |