| Name |
Helvecardin A |
| Formula |
C90H103Cl2N9O36 |
| Mw |
1955.58827618 |
| CAS RN |
119979-33-8 |
| C_ID |
C00017076
, 
|
| InChIKey |
ZVRVZYXIMVTOQM-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C90H103Cl2N9O36/c1-31-67(108)47(93)27-57(126-31)134-77-38-12-19-52(46(92)22-38)131-54-24-39-23-53(78(54)137-90-80(74(115)71(112)56(30-103)133-90)135-58-28-48(94)68(109)32(2)127-58)129-41-15-8-35(9-16-41)76(136-88-75(116)72(113)70(111)55(29-102)132-88)65(100-81(117)60(95-4)34-6-13-42(14-7-34)130-89-79(125-5)73(114)69(110)33(3)128-89)85(121)97-62(37-11-18-50(106)45(91)21-37)82(118)98-63(39)84(120)96-61-36-10-17-49(105)43(20-36)59-44(25-40(104)26-51(59)107)64(87(123)124)99-86(122)66(77)101-83(61)119/h6-26,31-33,47-48,55-58,60-77,79-80,88-90,95,102-116H,27-30,93-94H2,1-5H3,(H,96,120)(H,97,121)(H,98,118)(H,99,122)(H,100,117)(H,101,119)(H,123,124)/t31-,32-,33-,47-,48-,55+,56-,57+,58-,60-,61-,62+,63-,64+,65+,66+,67+,68+,69-,70+,71-,72-,73+,74-,75+,76+,77-,79+,80-,88+,89+,90-/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[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)CO)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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