Concept information
Preferred term
Emerimicin VIII
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C74H122N16O19
inchi
- InChI=1S/C74H122N16O19/c1-22-73(20,83-56(99)49(32-41(5)6)79-53(96)36-76-59(102)67(8,9)85-62(105)70(14,15)87-63(106)71(16,17)86-61(104)69(12,13)81-55(98)48(31-40(3)4)77-42(7)92)64(107)88-72(18,19)65(108)89-37-45(93)34-50(89)57(100)80-47(29-30-52(75)95)54(97)84-74(21,23-2)66(109)90-38-46(94)35-51(90)58(101)82-68(10,11)60(103)78-44(39-91)33-43-27-25-24-26-28-43/h24-28,40-41,44-51,91,93-94H,22-23,29-39H2,1-21H3,(H2,75,95)(H,76,102)(H,77,92)(H,78,103)(H,79,96)(H,80,100)(H,81,98)(H,82,101)(H,83,99)(H,84,97)(H,85,105)(H,86,104)(H,87,106)(H,88,107)/t44-,45+,46+,47?,48-,49-,50-,51-,73+,74+/m0/s1
inchikey
- IXGDDEOWMDCTSR-RMNLLOOMSA-N
mass
- 1539.883
monoisotopicmass
- 1538.90722
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)CC(C)C)(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:221346
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