Tsugicoline H (CHEBI:199758)

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CHEBI:199758 - Tsugicoline H

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ChEBI ID	CHEBI:199758
ChEBI Name	Tsugicoline H
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Submitter	MetaboLights
Downloads	Molfile

Formula	C15H20O5
Net Charge	0
Average Mass	280.320
Monoisotopic Mass	280.13107
SMILES	CC1(C)C[C@H]2[C@H](O)c3coc(C(=O)O)c3[C@](C)(O)[C@H]2C1
InChI	InChI=1S/C15H20O5/c1-14(2)4-7-9(5-14)15(3,19)10-8(11(7)16)6-20-12(10)13(17)18/h6-7,9,11,16,19H,4-5H2,1-3H3,(H,17,18)/t7-,9+,11+,15-/m1/s1
InChIKey	CKYFQWVHKHQCLS-JYWQCDDESA-N

Species of Metabolite	Component	Source	Comments
Laurilia (ncbitaxon:154743)	-	DOI (10.1016/s0040-4020(98)00613-9)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Tsugicoline H (CHEBI:199758) is a furoic acid (CHEBI:36055)

IUPAC Name
(4S,4aR,7aS,8R)-4,8-dihydroxy-6,6,8-trimethyl-4a,5,7,7a-tetrahydro-4H-cyclopenta[][2]benzouran-1-carboxylic acid

Manual Xrefs	Databases
16738551	ChemSpider