CHEBI:197747 - SMTP-7

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name SMTP-7
ChEBI ID CHEBI:197747
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H68N2O10
Net Charge 0
Average Mass 869.109
Monoisotopic Mass 868.48740
InChI InChI=1S/C51H68N2O10/c1-30(2)14-9-16-32(5)18-11-21-50(7)43(56)26-36-41(54)24-34-38(45(36)62-50)28-52(47(34)58)23-13-20-40(49(60)61)53-29-39-35(48(53)59)25-42(55)37-27-44(57)51(8,63-46(37)39)22-12-19-33(6)17-10-15-31(3)4/h14-15,18-19,24-25,40,43-44,54-57H,9-13,16-17,20-23,26-29H2,1-8H3,(H,60,61)
InChIKey CRNDCHORWGDFGR-UHFFFAOYSA-N
SMILES O=C1N(C(C(=O)O)CCCN2C(=O)C=3C=C(O)C4=C(C3C2)OC(C(O)C4)(CCC=C(CCC=C(C)C)C)C)CC5=C1C=C(O)C6=C5OC(C(O)C6)(CCC=C(CCC=C(C)C)C)C
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SMTP-7 (CHEBI:197747) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name
2,5-bis[2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid
Manual Xrefs Databases
78443858 ChemSpider
HMDB0258348 HMDB
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