(1S,5E,7R,9S,11E,13S,16S,17S,18S)-18-benzyl-7,14-dihydroxy-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione (CHEBI:202853)

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CHEBI:202853 - (1S,5E,7R,9S,11E,13S,16S,17S,18S)-18-benzyl-7,14-dihydroxy-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione

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ChEBI ID	CHEBI:202853
ChEBI Name	(1S,5E,7R,9S,11E,13S,16S,17S,18S)-18-benzyl-7,14-dihydroxy-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H33NO7
Net Charge	0
Average Mass	495.572
Monoisotopic Mass	495.22570
SMILES	C=C1C(O)[C@@H]2/C=C/C[C@H](C)C(=O)[C@](C)(O)/C=C/OC(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C
InChI	InChI=1S/C28H33NO7/c1-16-9-8-12-20-23(30)18(3)17(2)22-21(15-19-10-6-5-7-11-19)29-25(32)28(20,22)36-26(33)35-14-13-27(4,34)24(16)31/h5-8,10-14,16-17,20-23,30,34H,3,9,15H2,1-2,4H3,(H,29,32)/b12-8+,14-13+/t16-,17+,20-,21-,22-,23?,27+,28+/m0/s1
InChIKey	OLBHIGPILGBPMF-ZMQTYWPWSA-N

Species of Metabolite	Component	Source	Comments
Mycotypha (ncbitaxon:64629)	-	PubMed (12195965)

ChEBI Ontology

Outgoing Relation(s)
	(1S,5E,7R,9S,11E,13S,16S,17S,18S)-18-benzyl-7,14-dihydroxy-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione (CHEBI:202853) is a isoindoles (CHEBI:24897)

IUPAC Name
(1S,5E,7R,9S,11E,13S,16S,17S,18S)-18-benzyl-7,14-dihydroxy-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione

Manual Xrefs	Databases
78440145	ChemSpider