(2S,3R)-2-[(14S)-14-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid (CHEBI:203562)

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CHEBI:203562 - (2S,3R)-2-[(14S)-14-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

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ChEBI ID	CHEBI:203562
ChEBI Name	(2S,3R)-2-[(14S)-14-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C45H76O25
Net Charge	0
Average Mass	1017.078
Monoisotopic Mass	1016.46757
SMILES	C=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@H](C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)[C@@H]1C(=O)O
WURCS	WURCS=2.0/2,4,3/[axxxxh-1x_1-5_1*OC^SCCCCCCCCCCCCCC^SC^RCCO$17/20=O/19=C/18CO/24=O/3C][axxxxh-1x_1-5]/1-2-2-2/a2-b1_a3-d1_b6-c1
InChI	InChI=1S/C45H76O25/c1-20(14-12-10-8-6-4-3-5-7-9-11-13-15-22-27(40(59)60)21(2)41(61)64-22)63-45-39(38(31(52)25(18-48)67-45)69-43-36(57)33(54)29(50)24(17-47)66-43)70-44-37(58)34(55)30(51)26(68-44)19-62-42-35(56)32(53)28(49)23(16-46)65-42/h20,22-39,42-58H,2-19H2,1H3,(H,59,60)/t20-,22-,23?,24?,25?,26?,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,42?,43?,44?,45?/m0/s1
InChIKey	VYEHLQHBYQSLEW-LTTSUIPUSA-N

Species of Metabolite	Component	Source	Comments
Acarospora (ncbitaxon:88747)	-	DOI (10.1016/s0031-9422(00)00372-1)

ChEBI Ontology

Outgoing Relation(s)
	(2S,3R)-2-[(14S)-14-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid (CHEBI:203562) is a oligosaccharide (CHEBI:50699)

IUPAC Name
(2S,3R)-2-[(14S)-14-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

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