input word = C00046267

Metabolite InformationStructural formula
Name Pandangolide 2
(-)-Pandangolide 2
Formula C14H22O6S
Mw 318.11370917
CAS RN 256451-86-2
C_ID C00046267 ,
InChIKey VVKPWHINRBQMFJ-UHFFFAOYNA-N
InChICode InChI=1S/C14H22O6S/c1-9-5-3-2-4-6-10(15)14(19)11(7-13(18)20-9)21-8-12(16)17/h9-11,15H,2-8H2,1H3,(H,16,17)/t9-,10-,11-/m0/s1
SMILES [C@H]1(C(=O)[C@H](CCCCC[C@@H](OC(=O)C1)C)O)SCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia aerizusa Ref.
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