input word = C00043621

Metabolite InformationStructural formula
Name Isoscalarafuran A
(+)-Isoscalarafuran A
Formula C27H40O4
Mw 428.29265977
CAS RN 152340-13-1
C_ID C00043621 ,
InChIKey STNCPASBTRDSBG-QVBJRVFYNA-N
InChICode InChI=1S/C27H40O4/c1-16(28)31-23-13-21-25(4)10-7-9-24(2,3)20(25)8-11-26(21,5)22-12-19(29)17-14-30-15-18(17)27(22,23)6/h14-15,19-23,29H,7-13H2,1-6H3/t19-,20-,21+,22-,23-,25-,26+,27+/m0/s1
SMILES CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@H](O)c3cocc3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios erectus Ref.
--Spongia officinalis Ref.
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