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 > diterpenoid > trigoheterin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > trigoheterin b

Preferred term

trigoheterin b  

Type

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

Broader concept

charge

  • 0

formula

  • C42H48O14

has_role

inchi

  • InChI=1S/C42H48O14/c1-21(2)41(55-27(8)46)33(54-37(48)29-18-14-11-15-19-29)23(4)40(49)30-20-22(3)32(53-36(47)28-16-12-10-13-17-28)42(30)38(52-26(7)45)39(9,56-42)34(50-24(5)43)31(40)35(41)51-25(6)44/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41-,42+/m0/s1

inchikey

  • VNWXBSJRZOPCTC-CXQXIBKHSA-N

mass

  • 776.82210

monoisotopicmass

  • 776.30441

smiles

  • [H][C@@]12[C@H](OC(C)=O)[C@@]3(C)O[C@]4([C@@H](OC(=O)c5ccccc5)[C@@H](C)C[C@@]4([H])[C@@]1(O)[C@H](C)[C@H](OC(=O)c1ccccc1)[C@](OC(C)=O)([C@@H]2OC(C)=O)C(C)=C)[C@@H]3OC(C)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69170

Download this concept:

RDF/XML TURTLE JSON-LD