input word = C00042450

Metabolite InformationStructural formula
Name Deacetylhectochlorin
(-)-Deacetylhectochlorin
Formula C25H32Cl2N2O8S2
Mw 622.09771289
CAS RN 858862-65-4
C_ID C00042450 ,
InChIKey VZEAHVQDYHOSRG-LGLOVAMMNA-N
InChICode InChI=1S/C25H32Cl2N2O8S2/c1-12-15(8-7-9-25(6,26)27)35-21(32)13-10-38-18(28-13)16(30)24(4,5)37-22(33)14-11-39-19(29-14)17(23(2,3)34)36-20(12)31/h10-12,15-17,30,34H,7-9H2,1-6H3/t12-,15-,16+,17+/m0/s1
SMILES c12csc(n1)[C@@H](OC(=O)[C@H]([C@@H](OC(=O)c1nc([C@H](C(OC2=O)(C)C)O)sc1)CCCC(Cl)(Cl)C)C)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeBursatella leachii Ref.
--Lyngbya majuscula Ref.
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