input word = C00038081

Metabolite InformationStructural formula
Name (+)-Isojaspic acid
Formula C27H38O3
Mw 410.28209508
CAS RN 934995-74-1
C_ID C00038081 ,
InChIKey VTVMRXMYDVQASV-QDAOBJQENA-N
InChICode InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h10-11,16,22,24,28H,1,3,6-9,12-15,17H2,2,4-5H3,(H,29,30)/t22-,24-,26+,27-/m1/s1
SMILES C=C(C)CCC[C@@]1(C)CCC[C@@]2(C)[C@H](Cc3cc(C(=O)O)ccc3O)C(=C)CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cacospongia sp. Ref.
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