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Chemistry, part 2

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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 > trivirensol f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > trivirensol f
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > trivirensol f
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > trivirensol f
... > 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 > trivirensol f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > trivirensol f
organooxygen compound > ester > lactone > terpene lactone > trivirensol f
organooxygen compound > oxacycle > lactone > terpene lactone > trivirensol f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > trivirensol f
... > 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 > trivirensol f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > trivirensol f

Preferred term

trivirensol f  

Type

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

Broader concept

charge

  • 0

formula

  • C44H62O14

inchi

  • InChI=1S/C44H62O14/c1-23(2)31-8-7-26(17-45)13-27(31)14-28(18-46)40(51)58-44-12-10-33(25(5)6)35(37(44)42(53)57-22-44)15-29(19-47)39(50)56-21-43(54)11-9-32(24(3)4)34-16-30(38(48)49)20-55-41(52)36(34)43/h13-16,23-25,27,31-37,45-47,54H,7-12,17-22H2,1-6H3,(H,48,49)/b28-14+,29-15+/t27-,31-,32-,33-,34-,35-,36-,37-,43-,44-/m1/s1

inchikey

  • KFHAQDUENWYFDP-PSZBQQQZSA-N

mass

  • 814.966

monoisotopicmass

  • 814.41396

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]3[C@@H](C(C)C)CC[C@@]4([C@H]3C(=O)OC4)OC(=O)/C(=C/[C@H]5C=C(CC[C@@H]5C(C)C)CO)/CO)/CO

subset

  • 2_STAR

synonym EXACT

  • (5aS,6R,9S,9aS)-9-[[(E)-3-[(3aS,4S,5R,7aS)-7a-[(E)-2-(hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoyl]oxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoyl]oxymethyl]-9-hydroxy-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:225679

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