Concept information
Preferred term
Emerimicin VI
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C77H120N16O19
inchi
- InChI=1S/C77H120N16O19/c1-20-76(18,86-59(102)51(34-43(3)4)82-56(99)39-79-62(105)70(6,7)88-65(108)73(12,13)90-66(109)74(14,15)89-64(107)72(10,11)84-58(101)52(80-44(5)95)36-46-30-26-23-27-31-46)67(110)91-75(16,17)68(111)92-40-48(96)37-53(92)60(103)83-50(32-33-55(78)98)57(100)87-77(19,21-2)69(112)93-41-49(97)38-54(93)61(104)85-71(8,9)63(106)81-47(42-94)35-45-28-24-22-25-29-45/h22-31,43,47-54,94,96-97H,20-21,32-42H2,1-19H3,(H2,78,98)(H,79,105)(H,80,95)(H,81,106)(H,82,99)(H,83,103)(H,84,101)(H,85,104)(H,86,102)(H,87,100)(H,88,108)(H,89,107)(H,90,109)(H,91,110)/t47-,48+,49+,50?,51-,52-,53-,54-,76+,77+/m0/s1
inchikey
- HPSKOYMKFAIFRZ-AUPXWIRCSA-N
mass
- 1573.900
monoisotopicmass
- 1572.89157
smiles
- O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](CO)CC2=CC=CC=C2)(C)C)C[C@H](C1)O)[C@](NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)[C@](NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC4=CC=CC=C4)(C)C)(C)C)(C)C)(C)C)CC(C)C)(CC)C)(C)C)C[C@@H](C3)O)CCC(=O)N)(CC)C
subset
- 2_STAR
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221338
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