[(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate (CHEBI:203189)

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CHEBI:203189 - [(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate

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ChEBI ID	CHEBI:203189
ChEBI Name	[(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H38N2O9S2
Net Charge	0
Average Mass	646.784
Monoisotopic Mass	646.20187
SMILES	C/C=C(\C)C(=O)C(C)C(O)C(C)C(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=CC=C[C@@H]5O)[C@@H](O)[C@@]4(SC)C(=O)N3[C@@H]21
InChI	InChI=1S/C31H38N2O9S2/c1-7-15(2)24(35)16(3)25(36)17(4)27(38)42-21-11-12-41-14-18-13-30(43-5)28(39)33-23-19(9-8-10-20(23)34)26(37)31(33,44-6)29(40)32(30)22(18)21/h7-12,14,16-17,20-23,25-26,34,36-37H,13H2,1-6H3/b15-7+/t16?,17?,20-,21-,22-,23-,25?,26+,30+,31+/m0/s1
InChIKey	VFDHVMKCCDEIQX-KBGDTOIJSA-N

Species of Metabolite	Component	Source	Comments
Menisporopsis (ncbitaxon:752603)	-	PubMed (17067151)

ChEBI Ontology

Outgoing Relation(s)
	[(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate (CHEBI:203189) has functional parent α-amino acid (CHEBI:33704)
	[(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate (CHEBI:203189) is a organonitrogen compound (CHEBI:35352)
	[(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate (CHEBI:203189) is a organooxygen compound (CHEBI:36963)

IUPAC Name
[(1R,4S,5S,10R,11R,14S,15S)-5,10-dihydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-15-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate

Manual Xrefs	Databases
17219492	ChemSpider