skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > (1s,2r,3r,4as,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2h-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1h)-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > (1s,2r,3r,4as,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2h-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1h)-one
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > (1s,2r,3r,4as,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2h-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1h)-one

Preferred term

(1s,2r,3r,4as,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-(((5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyltetrahydro-2h-pyran-2-yl)methyl)-2,3,4,4a,12,12a-hexahydrotetracen-5(1h)-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H34O10

inchi

  • InChI=1S/C29H34O10/c1-13(31)18-11-28(10-17-6-7-29(38,14(2)39-17)21(33)12-30)19(25(35)24(18)34)9-16-8-15-4-3-5-20(32)22(15)26(36)23(16)27(28)37/h3-5,8,14,17-19,24-25,30,32,34-36,38H,6-7,9-12H2,1-2H3/t14-,17?,18-,19-,24+,25-,28+,29-/m0/s1

inchikey

  • JAUACVIXDFWVCW-VLNGNYSASA-N

mass

  • 542.581

monoisotopicmass

  • 542.21520

smiles

  • O=C1C2=C(O)C3=C(O)C=CC=C3C=C2C[C@@H]4[C@]1(C[C@@H](C(=O)C)[C@H]([C@H]4O)O)CC5O[C@H]([C@](O)(C(=O)CO)CC5)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223000

Download this concept:

RDF/XML TURTLE JSON-LD