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 lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
organooxygen compound > ester > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
organooxygen compound > oxacycle > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > (4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a

Preferred term

(4′e,1s,6s,7r,10s,6′s,7′r)-aspergilloid a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40O10

inchi

  • InChI=1S/C30H40O10/c1-15(2)20-6-5-17-12-38-28(35)24(17)22(20)9-18(11-31)27(34)40-14-30(37)8-7-21(16(3)4)23-10-19(26(32)33)13-39-29(36)25(23)30/h9-10,15-16,20-23,25,31,37H,5-8,11-14H2,1-4H3,(H,32,33)/b18-9+/t20-,21-,22-,23-,25-,30-/m1/s1

inchikey

  • GINWPXGJOUQXPN-AUWHNZDYSA-N

mass

  • 560.640

monoisotopicmass

  • 560.26215

smiles

  • O=C1OCC(C(=O)O)=C[C@H]2[C@H]1[C@@](O)(CC[C@@H]2C(C)C)COC(=O)/C(=C/[C@H]3C=4C(=O)OCC4CC[C@@H]3C(C)C)/CO

subset

  • 2_STAR

synonym EXACT

  • (5aS,6R,9S,9aS)-9-hydroxy-9-[[(E)-2-(hydroxymethyl)-3-[(4S,5R)-3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzouran-4-yl]prop-2-enoyl]oxymethyl]-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223804

Download this concept:

RDF/XML TURTLE JSON-LD