Mer-NF-5003-B (CHEBI:211301)

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CHEBI:211301 - Mer-NF-5003-B

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ChEBI ID	CHEBI:211301
ChEBI Name	Mer-NF-5003-B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O6
Net Charge	0
Average Mass	404.503
Monoisotopic Mass	404.21989
SMILES	C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2
InChI	InChI=1S/C23H32O6/c1-12-5-6-18-21(2,3)20(28)17(27)9-22(18,4)23(12)8-14-16(26)7-13(10-24)15(11-25)19(14)29-23/h7,11-12,17-18,20,24,26-28H,5-6,8-10H2,1-4H3/t12-,17-,18+,20-,22+,23-/m1/s1
InChIKey	NZIVCAVTGFEAJT-UIWGWDGISA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys (ncbitaxon:74721)	-	PubMed (8040079)

ChEBI Ontology

Outgoing Relation(s)
	Mer-NF-5003-B (CHEBI:211301) is a benzofurans (CHEBI:35259)

IUPAC Name
(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-carbaldehyde

Manual Xrefs	Databases
78437440	ChemSpider