CHEBI:69789 - chlorahololide B

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ChEBI Name chlorahololide B
ChEBI ID CHEBI:69789
Definition A natural product found in Chloranthus japonicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H40O14
Net Charge 0
Average Mass 732.72650
Monoisotopic Mass 732.24181
InChI InChI=1S/C39H40O14/c1-15-7-27(42)51-14-37(47)22-8-19(22)34(3)23(37)10-18-17(13-50-26(41)6-5-25(40)49-12-15)32(44)52-38(18)24(34)11-36(46)21-9-20(21)35(4)30(36)29(38)28-16(2)31(43)53-39(28,48)33(35)45/h7,19-24,46-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20-,21+,22+,23?,24+,34+,35+,36+,37+,38+,39+/m1/s1
InChIKey KSKYQRVGRNHBRL-ZXLWUQOCSA-N
SMILES [H][C@]12C[C@@]1([H])[C@@]1(C)C3CC4=C(COC(=O)CCC(=O)OC\C(C)=C\C(=O)OC[C@]23O)C(=O)O[C@@]42C3=C4[C@](O)(C[C@@]12[H])[C@@]1([H])C[C@@]1([H])[C@]4(C)C(=O)[C@@]1(O)OC(=O)C(C)=C31
Metabolite of Species Details
Chloranthus japonicus (NCBI:txid13007) Found in whole plant (BTO:0001461). Methanolic extract of dried and powdered plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chlorahololide B (CHEBI:69789) has role metabolite (CHEBI:25212)
chlorahololide B (CHEBI:69789) is a triterpenoid (CHEBI:36615)
Synonym Source
(1S,2S,4S,5S,7R,8S,10S,16R,28E,33S,34S,36S,37R)-4,10,33-Trihydroxy-1,8,13,28-tetramethyl-11,17,21,26,31-pentaoxadecacyclo[17.17.3.1[4,8].0[2,16].0[5,7].0[10,14].0[15,40].0[16,39].0[33,37].0[34,36]]tet raconta-13,15(40),19(39),28-tetraene-9,12,18,22,25,30-hexone ChEBI
Citation Waiting for Citations Type Source
21650224 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:carbonyl compound(CHEBI:36586); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:polyol(CHEBI:26191); ISA:hemiacetal(CHEBI:5653); ISA:organic hydroxy compound(CHEBI:33822); ISA:lactone(CHEBI:25000);