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viridicatumtoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_85616

A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus.

Term info

Label

viridicatumtoxin

Synonyms
  • (1S,7a'S,11a'S,12'S)-5',6',7a',10',11a',12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,7a'S,11a'S,12'S)-5',6',7a',10',11a',12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide [ IUPAC ]

charge

0

formula

C30H31NO10

has obo namespace

chebi_ontology

has related synonym

NSC 159628, SC 28762, viridicatumtoxin A

id

CHEBI:85616

inchi

InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32-35,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1

inchikey

SUWQGLGDFGHZNH-WBWZXODPSA-N

mass

565.56780

monoisotopicmass

565.19480

smiles

COc1cc(O)c2c(O)c3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C(O)C[C@]4(O)[C@@H](O)c3c3C[C@@]4(c1c23)C(C)=CCCC4(C)C