OntologieschebiclassesCHEBI:68958   
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klymollin H
http://purl.obolibrary.org/obo/CHEBI_68958

An eunicellin diterpenoid isolated from the soft coral Klyxum molle.

Also appears inslm
Exact Synonyms
(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-9-(formyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxirane]-2,3,6-triyl triacetate
class Information
charge

0

formula

C27H40O11

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C27H40O11/c1-13(2)19-20-21(27(11-34-27)24(36-15(4)30)22(19)35-14(3)29)17-10-25(6,32)18(33-12-28)8-9-26(7,23(20)37-17)38-16(5)31/h12-13,17-24,32H,8-11H2,1-7H3/t17-,18+,19-,20-,21-,22+,23-,24+,25+,26-,27-/m1/s1

inchikey

PJSHPOHLUBKHTG-ADWFZQLOSA-N

in_subset

3_STAR

mass

540.59990

monoisotopicmass

540.25706

smiles

CC(C)[C@@H]1[C@H]2[C@H]3O[C@H](C[C@](C)(O)[C@H](CC[C@@]3(C)OC(C)=O)OC=O)[C@H]2[C@]2(CO2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

class Relations