input word = C00044897

Metabolite InformationStructural formula
Name Lycopanerol J
Formula C120H236O7
Mw 1789.81110988
CAS RN 565430-10-6
C_ID C00044897 ,
InChIKey ICSSFSVOQUVGQA-VUWHWGNHNA-N
InChICode InChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,122)110-81-82-111(123-110)119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)127-120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)113-84-83-112(124-113)118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)126-116(26,86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4)109(121)79-80-114-117(27,125-114)87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6/h91-114,121-122H,31-90H2,1-30H3/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116+,117+,118+,119+,120+/m1/s1
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@]([C@H]1CC[C@@H](O1)[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(O[C@@]([C@H]1CC[C@@H](O1)[C@@](O)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CCC[C@H](C)CCC[C@@H](CCCC(C)C)C)C)(O[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)[C@H](O)CC[C@@H]1[C@](O1)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDictyosphaeriaceaeBotryococcus braunii Ref.
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OrganismBotryococcus braunii
ReferenceMetzger,J.Nat.Prod.,66,(2003),759