CHEBI:206251 - Vertihemipterin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Vertihemipterin A
ChEBI ID CHEBI:206251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H43ClO10
Net Charge 0
Average Mass 599.110
Monoisotopic Mass 598.25448
InChI InChI=1S/C30H43ClO10/c1-14(7-9-18-24(35)19(12-32)16(3)23(31)25(18)36)21(11-30(5)15(2)8-10-20(34)17(30)4)40-29-27(38)26(37)28(39-6)22(13-33)41-29/h7,12,15,17,21-22,26-29,33,35-38H,8-11,13H2,1-6H3/b14-7+/t15-,17+,21-,22-,26-,27-,28-,29-,30+/m1/s1
InChIKey QINPQFODEODUKM-USILLHITSA-N
SMILES ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/[C@H](O[C@@H]2O[C@@H]([C@@H](OC)[C@@H]([C@H]2O)O)CO)C[C@@]3([C@H](C(=O)CC[C@H]3C)C)C)\C
Metabolite of Species Details
[Torrubiella hemipterigena (NCBI:txid1531966) See: PubMed
ChEBI Ontology
Outgoing Vertihemipterin A (CHEBI:206251) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
5-chloro-3-[(E,4R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]-2,4-dihydroxy-6-methylbenzaldehyde
Manual Xref Database
8184284 ChemSpider
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