input word = C00015412

Metabolite InformationStructural formula
Name Phenochalasin B
Formula C29H35NO8
Mw 525.2362671
CAS RN 253129-70-3
C_ID C00015412 ,
InChIKey LVWIBRGJAUUGDB-VXTOCBMNNA-N
InChICode InChI=1S/C29H35NO8/c1-16-7-6-8-20-24-28(4,37-24)17(2)22-21(15-18-9-11-19(35-5)12-10-18)30-25(32)29(20,22)38-26(33)36-14-13-27(3,34)23(16)31/h6,8-14,16-17,20-22,24,34H,7,15H2,1-5H3,(H,30,32)/b8-6+,14-13+/t16-,17+,20+,21-,22-,24+,27+,28-,29+/m1/s1
SMILES c1c(ccc(c1)C[C@H]1NC(=O)[C@@]23[C@@H]1[C@@H]([C@@]1([C@H]([C@@H]2/C=C/C[C@H](C(=O)[C@@](/C=C/OC(=O)O3)(C)O)C)O1)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. FT-0211 Ref.
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OrganismPhomopsis sp. FT-0211
ReferenceTomoda,J.Antibiotics 52,(1999),851