CHEBI:221011 - Striatoid E

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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 Striatoid E
ChEBI ID CHEBI:221011
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O8
Net Charge 0
Average Mass 490.593
Monoisotopic Mass 490.25667
InChI InChI=1S/C27H38O8/c1-12(2)15-10-17(29)25(5)9-8-24(4)16(18(15)25)7-6-14-19-21(24)35-23-27(19,32)22(30)26(31,11-33-23)20(14)34-13(3)28/h6,12,16-17,19-23,29-32H,7-11H2,1-5H3/t16-,17+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey NWQFLEJNKAILDU-UEXWUNLFSA-N
SMILES O=C(O[C@@H]1C2=CC[C@@H]3C4=C(C(C)C)C[C@@H]([C@]4(C)CC[C@]3([C@@H]5[C@@H]2[C@]6(O)[C@@H](OC[C@@]1(O)[C@@H]6O)O5)C)O)C
Metabolite of Species Details
Cyathus striatus (NCBI:txid68777) See: PubMed
ChEBI Ontology
Outgoing Striatoid E (CHEBI:221011) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-tetrahydroxy-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-22-yl] acetate
Manual Xref Database
59004878 ChemSpider
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