input word = C00049262

Metabolite InformationStructural formula
Name Petrosiacetylene D
Formula C30H44O2
Mw 436.33413065
CAS RN 222178-93-0
C_ID C00049262 ,
InChIKey KNPRZNJIIPJQLW-JGVBFEIUNA-N
InChICode InChI=1S/C30H44O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25-32H,7-9,11,13-24H2/b6-5-,27-25+,28-26+/t29-,30-/m1/s1
SMILES C(=C\CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia sp. Ref.
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