| Name |
LL-D 42067beta
Simaomicin beta |
| Formula |
C27H23NO10 |
| Mw |
521.13219596 |
| CAS RN |
100111-39-5 |
| C_ID |
C00017027
, 
|
| InChIKey |
PNZNPIHXTLFMSC-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C27H23NO10/c1-8-5-9-15(27(34)28-8)21(32)18-14-10(6-13-17(18)23(9)37-7-36-13)24(35-2)26-19(20(14)31)22(33)16-11(29)3-4-12(30)25(16)38-26/h5,11-13,29-32H,3-4,6-7H2,1-2H3,(H,28,34)/t11-,12-,13-/m1/s1 |
| SMILES |
[nH]1c(cc2c(c1=O)c(c1c3c2OCO[C@@H]3Cc2c1c(c1c(c2OC)oc2c(c1=O)[C@@H](CC[C@H]2O)O)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Thermomonosporaceae | Actinomadura madurae LL-D42067 | Ref. |
|
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