| Name |
Galacardin B |
| Formula |
C95H111Cl2N9O41 |
| Mw |
2103.62544954 |
| CAS RN |
137801-54-8 |
| C_ID |
C00017245
, 
|
| InChIKey |
WXUXPZOUSUWROU-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C95H111Cl2N9O41/c1-31-68(114)47(98)26-58(134-31)143-82-38-11-18-52(46(97)21-38)139-54-23-39-22-53(83(54)147-95-84(75(121)72(118)57(30-109)142-95)144-59-27-48(99)69(115)32(2)135-59)137-41-14-7-35(8-15-41)81(146-94-78(124)74(120)71(117)56(29-108)141-94)66(105-85(126)61(100-4)34-5-12-42(13-6-34)138-92-79(125)76(122)80(33(3)136-92)145-93-77(123)73(119)70(116)55(28-107)140-93)89(130)102-63(37-10-17-50(112)45(96)20-37)86(127)103-64(39)88(129)101-62-36-9-16-49(111)43(19-36)60-44(24-40(110)25-51(60)113)65(91(132)133)104-90(131)67(82)106-87(62)128/h5-25,31-33,47-48,55-59,61-82,84,92-95,100,107-125H,26-30,98-99H2,1-4H3,(H,101,129)(H,102,130)(H,103,127)(H,104,131)(H,105,126)(H,106,128)(H,132,133)/t31-,32-,33+,47-,48-,55-,56-,57-,58+,59+,61+,62-,63+,64-,65+,66+,67-,68+,69-,70+,71+,72+,73+,74+,75+,76-,77-,78-,79-,80-,81+,82-,84-,92+,93+,94+,95+/m1/s1 |
| SMILES |
c12cc(cc(c1c1cc([C@@H]3C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)O)[C@@H](c2cc(c(Oc4c(c5cc([C@H](C(=O)N3)NC(=O)[C@H](c3cc(c(cc3)O)Cl)NC(=O)[C@@H](NC(=O)[C@@H](NC)c3ccc(cc3)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)[C@H](c3ccc(cc3)O5)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)c4)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@@H]3O[C@@H]([C@H]([C@@H](C3)N)O)C)cc2)Cl)O[C@@H]2O[C@@H]([C@@H]([C@@H](C2)N)O)C)ccc1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Saccharothrix sp. SANK 64289 | Ref. |
|
|
zoom in
| Organism | Saccharothrix sp. SANK 64289 |
|---|
| Reference | Takeuchi,J.Antibiotics 45,(1992),297 |
|---|
|
