| Name |
Neohalichondramide |
| Formula |
C44H60N4O12 |
| Mw |
836.42077341 |
| CAS RN |
798573-01-0 |
| C_ID |
C00043763
, 
|
| InChIKey |
WVEACYJDWUEKPP-HYUYQEBANA-N |
| InChICode |
InChI=1S/C44H60N4O12/c1-27-13-9-10-17-40-45-33(24-57-40)43-47-34(25-59-43)44-46-32(23-58-44)42(56-8)30(4)35(51)15-11-14-31(50)21-41(53)60-39(27)22-38(55-7)28(2)18-19-36(52)29(3)37(54-6)16-12-20-48(5)26-49/h10-12,14,17,20,23-31,37-39,42,50H,9,13,15-16,18-19,21-22H2,1-8H3/b14-11+,17-10-,20-12+/t27-,28-,29+,30-,31-,37-,38-,39-,42+/m1/s1 |
| SMILES |
C\1=C\CC[C@H]([C@H](OC(=O)C[C@@H](/C=C/CC(=O)[C@H]([C@@H](c2nc(c3nc(c4nc1oc4)oc3)oc2)OC)C)O)C[C@H]([C@@H](CCC(=O)[C@H](C)[C@@H](C/C=C/N(C=O)C)OC)C)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Chondrosia corticata | Ref. |
|
|
zoom in
| Organism | Chondrosia corticata |
|---|
| Reference | Shin,J.Nat.Prod.,67,(2004),1889 |
|---|
|
