| Name |
Helvecardin B |
| Formula |
C84H93Cl2N9O31 |
| Mw |
1793.53545274 |
| CAS RN |
119979-34-9 |
| C_ID |
C00017077
, 
|
| InChIKey |
MVUXVKWQCKGLNW-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C84H93Cl2N9O31/c1-30-65(101)46(87)27-55(117-30)124-72-37-12-19-51(45(86)22-37)122-53-24-38-23-52(73(53)126-84-75(71(107)69(105)54(29-96)123-84)125-56-28-47(88)66(102)31(2)118-56)120-40-15-8-34(9-16-40)68(104)63(94-76(108)58(89-4)33-6-13-41(14-7-33)121-83-74(116-5)70(106)67(103)32(3)119-83)80(112)91-60(36-11-18-49(99)44(85)21-36)77(109)92-61(38)79(111)90-59-35-10-17-48(98)42(20-35)57-43(25-39(97)26-50(57)100)62(82(114)115)93-81(113)64(72)95-78(59)110/h6-26,30-32,46-47,54-56,58-72,74-75,83-84,89,96-107H,27-29,87-88H2,1-5H3,(H,90,111)(H,91,112)(H,92,109)(H,93,113)(H,94,108)(H,95,110)(H,114,115)/t30-,31+,32-,46-,47+,54-,55+,56+,58+,59+,60+,61-,62-,63+,64-,65-,66+,67-,68+,69+,70+,71+,72-,74-,75-,83+,84-/m1/s1 |
| SMILES |
c12cc(c(cc1)O)c1c(cc(cc1O)O)[C@@H](NC(=O)[C@@H]1NC(=O)[C@H]2NC(=O)[C@H]2c3cc(Oc4ccc([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H](C1)N)O)C)cc4Cl)c(c(c3)Oc1ccc([C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)c2cc(c(cc2)O)Cl)NC(=O)[C@@H](NC)c2ccc(cc2)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)O)OC)O)cc1)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H](C1)N)O)C)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| -- | Pseudonocardiaceae | Pseudonocardia compacta subsp. helvetica | Ref. |
|
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