Herboxidiene (CHEBI:203465)

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CHEBI:203465 - Herboxidiene

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ChEBI ID	CHEBI:203465
ChEBI Name	Herboxidiene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H42O6
Net Charge	0
Average Mass	438.605
Monoisotopic Mass	438.29814
SMILES	COC(C(C)O)C(C)C1OC1(C)CC(C)/C=C/C=C(\C)[C@@H]1OC(CC(=O)O)CC[C@H]1C
InChI	InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15?,17-,18?,19?,20?,22+,23?,24?,25?/m1/s1
InChIKey	ISZXEMUWHQLLTC-GZSUCXPKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1021/jo00052a042)

ChEBI Ontology

Outgoing Relation(s)
	Herboxidiene (CHEBI:203465) is a diterpene glycoside (CHEBI:71939)

IUPAC Name
2-[(5R,6R)-6-[(2E,4E)-7-[3-(4-hydroxy-3-methoxypentan-2-yl)-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid

Manual Xrefs	Databases
78445508	ChemSpider