(7S*,16S*,18S*,19R*)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione (CHEBI:199180)

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CHEBI:199180 - (7S,16S,18S,19R)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione

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ChEBI ID	CHEBI:199180
ChEBI Name	(7S,16S,18S,19R)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione
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Submitter	MetaboLights
Downloads	Molfile

Formula	C45H65NO6
Net Charge	0
Average Mass	716.016
Monoisotopic Mass	715.48119
SMILES	C=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)C[C@@H](OC(=O)CCC(C)C/C=C/C=C/CCCCCCC)[C@](C)(O)C[C@H](C)C/C=C/[C@@H]3[C@H]1O
InChI	InChI=1S/C45H65NO6/c1-7-8-9-10-11-12-13-14-15-17-21-31(2)26-27-40(48)52-39-29-38(47)45-36(25-20-22-32(3)30-44(39,6)51)42(49)34(5)33(4)41(45)37(46-43(45)50)28-35-23-18-16-19-24-35/h13-20,23-25,31-33,36-37,39,41-42,49,51H,5,7-12,21-22,26-30H2,1-4,6H3,(H,46,50)/b14-13+,17-15+,25-20+/t31?,32-,33+,36-,37-,39-,41-,42+,44-,45+/m1/s1
InChIKey	NFDUYCJMCKGNSR-QJEWFHDLSA-N

Species of Metabolite	Component	Source	Comments
Microporellus (ncbitaxon:196224)	-	PubMed (17188722)

ChEBI Ontology

Outgoing Relation(s)
	(7S,16S,18S,19R)-7,18-dihydroxy-19-O-(4-methyl-6(E),8(E)-hexadecadienoyl)-16,18-dimethyl-10-phenyl-[11]-cytochalasa-6(12),13(E)-diene-1,21-dione (CHEBI:199180) is a isoindoles (CHEBI:24897)

IUPAC Name
[(1S,4R,5R,7R,9E,11S,12R,14R,15S,16R)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadec-9-en-4-yl] (6E,8E)-4-methylhexadeca-6,8-dienoate

Manual Xrefs	Databases
78436467	ChemSpider