10-epi-xanthobaccin C (CHEBI:209138)

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CHEBI:209138 - 10-epi-xanthobaccin C

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ChEBI ID	CHEBI:209138
ChEBI Name	10-epi-xanthobaccin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H38N2O5
Net Charge	0
Average Mass	494.632
Monoisotopic Mass	494.27807
SMILES	CCC1C[C@H]2C[C@H]3[C@@H]4C/C=C\C(=O)NCCC[C@@H]5NC(=O)C(=C(O)/C=C/[C@H]4CC(=O)[C@@H]3[C@H]2[C@@H]1C)C5=O
InChI	InChI=1S/C29H38N2O5/c1-3-16-12-18-13-20-19-6-4-8-24(34)30-11-5-7-21-28(35)27(29(36)31-21)22(32)10-9-17(19)14-23(33)26(20)25(18)15(16)2/h4,8-10,15-21,25-26,32H,3,5-7,11-14H2,1-2H3,(H,30,34)(H,31,36)/b8-4-,10-9+,27-22?/t15-,16?,17+,18+,19-,20+,21+,25+,26-/m1/s1
InChIKey	DAZWHCJBSRQVSC-LQXARYHSSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31775228)

ChEBI Ontology

Outgoing Relation(s)
	10-epi-xanthobaccin C (CHEBI:209138) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(3E,5R,8S,9R,10R,13S,15S,16R,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone