input word = C00048870

Metabolite InformationStructural formula
Name Tagalsin L
(-)-Tagalsin L
Formula C40H60O3
Mw 588.45424578
CAS RN 1126641-04-0
C_ID C00048870 ,
InChIKey HABLYLGYDIJAPY-ZKWXWNQENA-N
InChICode InChI=1S/C40H60O3/c1-10-36(5)20-21-39(8)27(24-36)14-19-38(7)25(2)32(41)28(22-31(38)39)33(42)34(43)37(6)18-15-29-26(23-37)12-13-30-35(3,4)16-11-17-40(29,30)9/h10,23,27-31,33,42H,1-2,11-22,24H2,3-9H3/t27-,28-,29-,30-,31-,33-,36-,37+,38+,39-,40+/m0/s1
SMILES C1[C@]2([C@H](C[C@](C1)(C=C)C)CC[C@]1([C@@H]2C[C@@H](C(=O)C1=C)[C@H](O)C(=O)[C@]1(C=C2[C@H](CC1)[C@@]1([C@@H](CC2)C(CCC1)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCeriops tagal Ref.
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OrganismCeriops tagal
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165