input word = C00048820

Metabolite InformationStructural formula
Name Phorbasin E
Formula C42H63NO8S
Mw 741.42743873
CAS RN 1023993-34-1
C_ID C00048820 ,
InChIKey DALKADDAYRGDKY-TYCSSFHONA-N
InChICode InChI=1S/C42H63NO8S/c1-26(2)13-9-15-28(5)17-11-19-30(7)35-34(44)23-32(38(45)41(35)48)24-43-21-22-52(50,51)25-33-37(43)40(47)36(42(49)39(33)46)31(8)20-12-18-29(6)16-10-14-27(3)4/h9-12,15-20,23,26-29,33-37,40-42,44,47-49H,13-14,21-22,24-25H2,1-8H3/b15-9+,16-10+,17-11+,18-12+,30-19+,31-20+/t28-,29-,33-,34-,35-,36-,37-,40+,41+,42+/m0/s1
SMILES C1S(=O)(=O)CCN([C@H]2[C@H]1C(=O)[C@@H]([C@H]([C@H]2O)/C(=C/C=C/[C@H](/C=C/CC(C)C)C)/C)O)CC1=C[C@@H]([C@@H]([C@H](C1=O)O)/C(=C/C=C/[C@H](/C=C/CC(C)C)C)/C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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