CHEBI:175464 - Cymbopogone

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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 Cymbopogone
ChEBI ID CHEBI:175464
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19-21,23-25H,9-18H2,1-8H3
InChIKey XMXDAZKCHXDKLX-UHFFFAOYSA-N
SMILES O=C1C(C2(C(C3(C(C4(C(C5C(CC4)(CCC5C(C)C)C)(CC3)C)C)CC2)C)CC1)C)C
ChEBI Ontology
Outgoing Cymbopogone (CHEBI:175464) is a diterpenoid (CHEBI:23849)
IUPAC Name
3a,5a,7a,8,11b,13a-hexamethyl-1-propan-2-yl-2,3,4,5,5b,6,7,8,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Manual Xref Database
HMDB0037053 HMDB
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