Concentricol C (CHEBI:200768)

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CHEBI:200768 - Concentricol C

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ChEBI ID	CHEBI:200768
ChEBI Name	Concentricol C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H56O7
Net Charge	0
Average Mass	552.793
Monoisotopic Mass	552.40260
SMILES	CC(=O)OC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO
InChI	InChI=1S/C32H56O7/c1-24(16-18-29(35)31(6,37)20-10-14-26(3)22-33)12-8-9-13-25(2)17-19-30(36)32(7,38)21-11-15-27(4)23-39-28(5)34/h12-15,29-30,33,35-38H,8-11,16-23H2,1-7H3/b24-12+,25-13+,26-14+,27-15+/t29-,30-,31-,32-/m0/s1
InChIKey	FBTWHMZRGOCBMO-SYSGTNNFSA-N

Species of Metabolite	Component	Source	Comments
Daldinia concentrica (ncbitaxon:42361)	-	DOI (10.1016/s0031-9422(02)00264-9)

ChEBI Ontology

Outgoing Relation(s)
	Concentricol C (CHEBI:200768) is a triterpenoid (CHEBI:36615)

IUPAC Name
[(2E,6S,7S,10E,14E,18S,19S,22E)-6,7,18,19,24-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraenyl] acetate

Manual Xrefs	Databases
78436667	ChemSpider