CHEBI:69791 - spicachlorantin B

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ChEBI Name spicachlorantin B
ChEBI ID CHEBI:69791
Definition A natural product found in Chloranthus japonicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H44O14
Net Charge 0
Average Mass 748.76900
Monoisotopic Mass 748.27311
InChI InChI=1S/C40H44O14/c1-16-8-9-50-26(41)6-7-27(42)51-14-18-19-12-24-35(3,20-10-23(20)38(24,48)15-52-31(16)43)25-13-37(47)22-11-21(22)36(4)30(37)29(39(19,25)53-33(18)45)28-17(2)32(44)54-40(28,49-5)34(36)46/h8,20-25,34,46-48H,6-7,9-15H2,1-5H3/b16-8+/t20-,21-,22+,23+,24-,25+,34-,35+,36+,37+,38+,39+,40+/m1/s1
InChIKey NASSYBOEZYWDCR-CTCIEULHSA-N
SMILES [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)[C@@]3(OC)OC(=O)C(C)=C3C3=C1[C@]2(O)C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C(C)=C\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
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 spicachlorantin B (CHEBI:69791) has role metabolite (CHEBI:25212)
spicachlorantin B (CHEBI:69791) is a triterpenoid (CHEBI:36615)
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:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); ISA:butenolide(CHEBI:50523); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:polyol(CHEBI:26191); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);