SQ-02-S-V1 (CHEBI:204651)

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CHEBI:204651 - SQ-02-S-V1

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ChEBI ID	CHEBI:204651
ChEBI Name	SQ-02-S-V1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H41NO7
Net Charge	0
Average Mass	527.658
Monoisotopic Mass	527.28830
SMILES	CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CN(C(C(=O)O)C(C)C)C5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C
InChI	InChI=1S/C30H41NO7/c1-15(2)24(27(35)36)31-14-20-18(26(31)34)12-21(33)19-13-29(7)16(3)8-9-22-28(5,6)23(37-17(4)32)10-11-30(22,29)38-25(19)20/h12,15-16,22-24,33H,8-11,13-14H2,1-7H3,(H,35,36)/t16-,22-,23-,24?,29+,30-/m0/s1
InChIKey	BVEXIWYXUHMACH-ZSPGBESWSA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys (ncbitaxon:74721)	-	PubMed (12014438)

ChEBI Ontology

Outgoing Relation(s)
	SQ-02-S-V1 (CHEBI:204651) is a xanthenes (CHEBI:38835)

IUPAC Name
2-[(1S,13R,14S,17S,19S)-19-acetyloxy-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-6-yl]-3-methylbutanoic acid

Manual Xrefs	Databases
9278533	ChemSpider