input word = C00036832

Metabolite InformationStructural formula
Name Botryolin A
Formula C34H60O3
Mw 516.45424578
CAS RN 443782-82-9
C_ID C00036832 ,
InChIKey MFRQZVAPWAKQJT-BEHXQHSONA-N
InChICode InChI=1S/C34H60O3/c1-23(2)25(5)15-19-31(9)27(7)17-21-33(11,36-31)29-13-14-30(35-29)34(12)22-18-28(8)32(10,37-34)20-16-26(6)24(3)4/h25-30H,1,3,13-22H2,2,4-12H3/t25-,26-,27-,28+,29-,30+,31+,32-,33+,34+/m1/s1
SMILES [C@@]1([C@H](CC[C@](O1)([C@@H]1CC[C@@H](O1)[C@@]1(CC[C@H]([C@@](O1)(CC[C@@H](C)C(=C)C)C)C)C)C)C)(CC[C@@H](C)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDictyosphaeriaceaeBotryococcus braunii Ref.
zoom in



OrganismBotryococcus braunii
ReferenceMetzger,Phytochem.,59,(2002),839