(+/-)-xylaridine A (CHEBI:209543)

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CHEBI:209543 - (+/-)-xylaridine A

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ChEBI ID	CHEBI:209543
ChEBI Name	(+/-)-xylaridine A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H33N3O2
Net Charge	0
Average Mass	431.580
Monoisotopic Mass	431.25728
SMILES	CC1=CC2=C(C(C)(C)N=C3C[C@@]4(C)C(=O)C(C)(C)N=C4C(C)=C32)[C@@]12C(=O)C(C)(C)N=C2C
InChI	InChI=1S/C27H33N3O2/c1-13-11-16-18-14(2)20-26(10,21(31)24(6,7)30-20)12-17(18)29-23(4,5)19(16)27(13)15(3)28-25(8,9)22(27)32/h11H,12H2,1-10H3/t26-,27-/m1/s1
InChIKey	QZDAHZOVHDWNDX-KAYWLYCHSA-N

Species of Metabolite	Component	Source	Comments
Xylaria longipes (ncbitaxon:114818)	-	PubMed (30767540)

ChEBI Ontology

Outgoing Relation(s)
	(+/-)-xylaridine A (CHEBI:209543) is a indoles (CHEBI:24828)

IUPAC Name
(5S,11R)-2',2',4,5',7,7,11,13,13,16-decamethylspiro[8,14-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),3,8,14-pentaene-5,4'-pyrrole]-3',12-dione