CHEBI:212954 - Spiroxin D

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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 Spiroxin D
ChEBI ID CHEBI:212954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H12O7
Net Charge 0
Average Mass 364.309
Monoisotopic Mass 364.05830
InChI InChI=1S/C20H12O7/c21-8-5-4-7-12-10(8)14(23)16-18(25-16)20(12)26-9-3-1-2-6-11(9)19(7,27-20)17-15(24-17)13(6)22/h1-5,14-18,21,23H/t14?,15-,16-,17-,18-,19+,20+/m1/s1
InChIKey BGUFABJXQFLBQE-YJGJOGHXSA-N
SMILES O=C1C2=C3C(O[C@]45[C@@H]6O[C@@H]6C(C=7C5=C([C@@]3(O4)[C@H]8[C@@H]1O8)C=CC7O)O)=CC=C2
ChEBI Ontology
Outgoing Spiroxin D (CHEBI:212954) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
(1S,2R,4S,12S,13R,15R)-16,18-dihydroxy-3,11,14,22-tetraoxaoctacyclo[10.9.1.11,6.112,17.02,4.013,15.010,24.021,23]tetracosa-6(24),7,9,17,19,21(23)-hexaen-5-one
Manual Xref Database
8559584 ChemSpider
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