CHEBI:181161 - NCGC00347826-02

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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 NCGC00347826-02
ChEBI ID CHEBI:181161
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O6
Net Charge 0
Average Mass 394.508
Monoisotopic Mass 394.23554
InChI InChI=1S/C22H34O6/c1-13-11-15(26-14(2)23)17-19(3,4)7-6-8-20(17,5)22(13)10-9-21(28-22)12-16(24)27-18(21)25/h13,15,17-18,25H,6-12H2,1-5H3
InChIKey MQGBHJVUCRXIRM-UHFFFAOYSA-N
SMILES O1C2(C3(C(C(CCC3)(C)C)C(OC(=O)C)CC2C)C)CCC14CC(OC4O)=O
ChEBI Ontology
Outgoing NCGC00347826-02 (CHEBI:181161) is a diterpene lactone (CHEBI:49193)
Manual Xref Database
29813985 ChemSpider
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