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[DHA7]MCLA
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Keyword(s):
Natural Toxins
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Active Pharmaceutical Ingredients
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Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
RMWLEIURXQBESL-OOMCYYCHSA-N
Smiles
C[C@@H](C=C(/C)C=C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
InChI
InChI=1S/C45H65N7O12/c123(2)203443(59)5237(45(62)63)27(6)39(55)4729(8)41(57)4932(171624(3)2125(4)35(6410)2231141211131531)26(5)38(54)5033(44(60)61)181936(53)4628(7)40(56)4830(9)42(58)5134/h1117,21,23,2527,2930,3235,37H,7,1820,22H2,16,810H3,(H,46,53)(H,47,55)(H,48,56)(H,49,57)(H,50,54)(H,51,58)(H,52,59)(H,60,61)(H,62,63)/b1716+,2421+/t25,26,27,29,30+,32,33+,34,35,37+/m0/s1
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C45H65N7O12
Cross References
Resources
Reference
NORMAN SUSDAT
NS00114395
PubChem
146684716
CONTENTS
Structure
Chemical and Physical Properties