CHEBI:217354 - Phomactin O

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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 Phomactin O
ChEBI ID CHEBI:217354
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-12-8-10-19(4)13(2)6-7-15(14(19)3)17(22)18-20(5,23-18)11-9-16(12)21/h7-8,13,16,18,21H,3,6,9-11H2,1-2,4-5H3/t13-,16+,18-,19+,20-/m1/s1
InChIKey NMJYCHLVJMQYLE-SMUISQBPSA-N
SMILES O=C1C=2C(=C)[C@]([C@H](C)CC2)(CC=C(C)[C@H](CC[C@@]3([C@@H]1O3)C)O)C
ChEBI Ontology
Outgoing Phomactin O (CHEBI:217354) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3S,5R,8S,12S,13R)-8-hydroxy-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),9-dien-2-one