Summary

IMPPAT Phytochemical identifier: IMPHY013727

Phytochemical name: Miraxanthin-I

Synonymous chemical names:
miraxanthins i

External chemical identifiers:
CID:135438591

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Chemical structure information

SMILES:
CS(=O)CCC(C(=O)O)/N=C/C=C/1CC(NC(=C1)C(=O)O)C(=O)O

InChI:
InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4+

InChIKey:
KRWNKOCPQBHMPM-FKEZDPINSA-N

DeepSMILES:
CS=O)CCCC=O)O))/N=C/C=CCCNC=C6)C=O)O))))C=O)O

Functional groups:
C/N=C/C=C1/C=C(C(=O)O)NCC1, CC(=O)O, CS(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CNCC1

Scaffold Graph/Node level:
CC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP-Likeness score: 1.893

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Chemical structure download