Alterporriol S (CHEBI:202276)

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CHEBI:202276 - Alterporriol S

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ChEBI ID	CHEBI:202276
ChEBI Name	Alterporriol S
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H30O14
Net Charge	0
Average Mass	638.578
Monoisotopic Mass	638.16356
SMILES	COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H]([C@H]2C3=C(C(=O)c4cc(OC)cc(O)c4C3=O)[C@H](O)[C@](C)(O)[C@H]2O)[C@H](O)[C@@](C)(O)[C@H]1O
InChI	InChI=1S/C32H30O14/c1-31(43)27(39)19(17-21(29(31)41)23(35)11-5-9(45-3)7-13(33)15(11)25(17)37)20-18-22(30(42)32(2,44)28(20)40)24(36)12-6-10(46-4)8-14(34)16(12)26(18)38/h5-8,19-20,27-30,33-34,39-44H,1-4H3/t19-,20-,27+,28+,29+,30+,31-,32-/m1/s1
InChIKey	WWOFACZMDGHQHR-WCKLBEMYSA-N

Species of Metabolite	Component	Source	Comments
Alternariaspecies XZSBG-1 (ncbitaxon:870234)	-	PubMed (25317580)

Roles Classification

astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.

ChEBI Ontology

Outgoing Relation(s)
	Alterporriol S (CHEBI:202276) is a tannin (CHEBI:26848)

IUPAC Name
(1S,2S,3R,4S)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-1-[(1S,2S,3R,4S)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-2,4-dihydro-1H-anthracen-1-yl]-2,4-dihydro-1H-anthracene-9,10-dione

Manual Xrefs	Databases
78436843	ChemSpider