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Chemistry, part 2

Content language

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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 > diterpenoid > trigoheterin d, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > trigoheterin d, (rel)-

Preferred term

trigoheterin d, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C33H44O11

has_role

inchi

  • InChI=1S/C33H44O11/c1-16(2)32-26(41-22(35)14-13-20-11-9-8-10-12-20)18(4)33-21-15-17(3)25(40-19(5)34)31(21,39)28(37)29(6,38)24(36)23(33)27(32)42-30(7,43-32)44-33/h8-12,17-18,21,23-28,36-39H,1,13-15H2,2-7H3/t17-,18+,21+,23-,24-,25-,26-,27+,28+,29+,30?,31+,32-,33-/m0/s1

inchikey

  • QQXREVRDDYMTOR-BMFITTSNSA-N

mass

  • 616.69590

monoisotopicmass

  • 616.28836

smiles

  • [H][C@]12OC3(C)O[C@]1([C@@H](OC(=O)CCc1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](O)[C@](C)(O)[C@@H](O)[C@@]21[H])C(C)=C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69172

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