CHEBI:200106 - Allocyafrin B4

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ChEBI Name Allocyafrin B4
ChEBI ID CHEBI:200106
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-11(2)13-8-17(24)20(4)6-5-19(3)14(18(13)20)9-15(22)12(10-21)7-16(19)23/h7-8,11,14-15,18,21-22H,5-6,9-10H2,1-4H3/t14-,15-,18?,19-,20+/m1/s1
InChIKey SRUVAUDOCNEFJS-VLEKXVRISA-N
SMILES O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2C(=CC3=O)C(C)C)C)C)CO
Metabolite of Species Details
Cyathus (NCBI:txid68776) See: DOI
ChEBI Ontology
Outgoing Allocyafrin B4 (CHEBI:200106) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-4,5,9,10,10a,10b-hexahydrocyclohepta[e]indene-3,6-dione
Manual Xref Database
78442500 ChemSpider
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