input word = C00040020

Metabolite InformationStructural formula
Name Pinnaterpene C
(+)-Pinnaterpene C
Formula C22H34Br2O4
Mw 520.08238537
CAS RN 81474-77-3
C_ID C00040020 ,
InChIKey CKHNDLWTFRQLAJ-JTQOUVHRNA-N
InChICode InChI=1S/C22H34Br2O4/c1-13(25)27-21(9-7-15(23)19(2,3)12-21)11-14-5-10-22-16(24)6-8-20(4,17(14)22)28-18(22)26/h14-18,26H,5-12H2,1-4H3/t14-,15-,16-,17+,18-,20+,21-,22-/m0/s1
SMILES CC(=O)O[C@]1(C[C@@H]2CCC34[C@@H](Br)CC[C@@](C)(O[C@@H]3O)[C@@H]24)CC[C@H](Br)C(C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia mariannensis Ref.
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