Thuggacin cmc C (CHEBI:222978)

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CHEBI:222978 - Thuggacin cmc C

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ChEBI ID	CHEBI:222978
ChEBI Name	Thuggacin cmc C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H43NO8S
Net Charge	0
Average Mass	577.740
Monoisotopic Mass	577.27094
SMILES	C/C=C(C)/C=C(\C)C(O)C(C)C1OC(=O)/C(C)=C/c2csc(n2)C(CO)C(O)CC(O)/C=C/C=C\CC(O)C1O
InChI	InChI=1S/C30H43NO8S/c1-6-17(2)12-18(3)26(36)20(5)28-27(37)24(34)11-9-7-8-10-22(33)14-25(35)23(15-32)29-31-21(16-40-29)13-19(4)30(38)39-28/h6-10,12-13,16,20,22-28,32-37H,11,14-15H2,1-5H3/b9-7-,10-8+,17-6+,18-12+,19-13+
InChIKey	ZDVFERBMHUKMTB-FUOUZSILSA-N

Species of Metabolite	Component	Source	Comments
Sorangium (ncbitaxon:39643)	-	PubMed (17506044)

ChEBI Ontology

Outgoing Relation(s)
	Thuggacin cmc C (CHEBI:222978) is a thiazoles (CHEBI:48901)

IUPAC Name
(2E,10Z,12E)-7,8,14,16-tetrahydroxy-6-[(4E,6E)-3-hydroxy-4,6-dimethylocta-4,6-dien-2-yl]-17-(hydroxymethyl)-3-methyl-5-oxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),2,10,12,18(21)-pentaen-4-one