skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > geospallin a
organooxygen compound > geospallin a

Preferred term

geospallin a  

Type

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

Broader concept

charge

  • 0

formula

  • C18H26N2O7S2

has_functional_parent

inchi

  • InChI=1S/C18H26N2O7S2/c1-10(22)27-11-6-7-12(28-4)16(25)8-17(26-3)14(23)19(2)18(9-21,29-5)15(24)20(17)13(11)16/h6-7,11-13,21,25H,8-9H2,1-5H3/t11-,12-,13+,16+,17-,18-/m0/s1

inchikey

  • BHOQXJLGJIKGDC-BJQVYURBSA-N

mass

  • 446.530

monoisotopicmass

  • 446.11814

smiles

  • S([C@@]1(N(C(=O)[C@@]2(OC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C=C[C@@H]3SC)O)C)CO)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,5aR,6S,9S,9aS,10aS)-9a-hydroxy-3-(hydroxymethyl)-10a-methoxy-2-methyl-3,9-bis(methylsulanyl)-1,4-dioxo-5a,6,9,10-tetrahydropyrazino[1,2-a]indol-6-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209352

Download this concept:

RDF/XML TURTLE JSON-LD