CHEBI:175850 - 22-Deoxocucurbitacin D

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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 22-Deoxocucurbitacin D
ChEBI ID CHEBI:175850
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H46O6
Net Charge 0
Average Mass 502.692
Monoisotopic Mass 502.32944
InChI InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18-21,23,31-32,35-36H,11,13-16H2,1-8H3/b12-9+
InChIKey IJFYQSUPMMVTOA-FMIVXFBMSA-N
SMILES OC1C(C2(C(C3C(C4C(=CC3)C(C(=O)C(O)C4)(C)C)(C(=O)C2)C)(C1)C)C)C(O)(C/C=C/C(O)(C)C)C
Roles Classification
Biological Role(s): allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
(via cucurbitacin )
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ChEBI Ontology
Outgoing 22-Deoxocucurbitacin D (CHEBI:175850) is a cucurbitacin (CHEBI:16219)
IUPAC Name
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Manual Xrefs Databases
4583761 ChemSpider
HMDB0034705 HMDB
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