| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:31 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C39H42N4O7 |
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| Molecular Mass | 678.3054 |
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| SMILES | C=C(C)C(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C |
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| InChI Key | ZVULFQSGSITMOQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrapyrroles and derivatives |
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| Subclass | metallotetrapyrroles |
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| Direct Parent | metallotetrapyrroles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesazacyclic compoundscarboxylic acidsenonesheteroaromatic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonecarbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundmetallotetrapyrrole skeletonorganooxygen compoundenone |
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