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-(((5r,6s)-5-hydroxy-5-(1-hydroxyethyl)-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-(((5r,6s)-5-hydroxy-5-(1-hydroxyethyl)-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-(((5r,6s)-5-hydroxy-5-(1-hydroxyethyl)-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-(((5r,6s)-5-hydroxy-5-(1-hydroxyethyl)-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

  • C29H36O9

inchi

  • InChI=1S/C29H36O9/c1-13(30)19-12-28(11-18-7-8-29(37,14(2)31)15(3)38-18)20(25(34)24(19)33)10-17-9-16-5-4-6-21(32)22(16)26(35)23(17)27(28)36/h4-6,9,14-15,18-20,24-25,31-35,37H,7-8,10-12H2,1-3H3/t14?,15-,18?,19-,20-,24+,25-,28+,29+/m0/s1

inchikey

  • XWIIHPFMDWALAP-CIKCRHJDSA-N

mass

  • 528.598

monoisotopicmass

  • 528.23593

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)C)CC5)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223004

Download this concept:

RDF/XML TURTLE JSON-LD