input word = C00044580

Metabolite InformationStructural formula
Name Briarellin J
Formula C22H32O5
Mw 376.22497413
CAS RN 503552-39-4
C_ID C00044580 ,
InChIKey QQZBIRHKOVCIIO-KPKJPENVNA-N
InChICode InChI=1S/C22H32O5/c1-12-7-6-9-22(5)19-17-15(13(2)20(24)27-22)8-10-21(4,26-14(3)23)18(17)16(11-12)25-19/h7,13,15-19H,6,8-11H2,1-5H3/b12-7-/t13-,15+,16+,17-,18-,19+,21+,22+/m1/s1
SMILES [C@@]1(CC[C@@H]2[C@@H]3[C@H]1[C@H]1O[C@@H]3[C@](OC(=O)[C@@H]2C)(C)CC/C=C(\C1)/C)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum polyanthes Ref.
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OrganismBriareum polyanthes
ReferenceOspina,J.Nat.Prod.,66,(2003),357