input word = C00037454

Metabolite InformationStructural formula
Name Lycopanerol G
Formula C120H236O7
Mw 1789.81110988
CAS RN 295342-63-1
C_ID C00037454
InChIKey PDUDNBSNMIILAE-WVEGJSTGSA-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)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-83-84-113(124-112)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)114-80-79-109(121)116(26,125-114)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/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)CCCC(C)(O)[C@H]1CC[C@H](C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@H](C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3CC[C@@H](O)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDictyosphaeriaceaeBotryococcus braunii Ref.
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OrganismBotryococcus braunii
ReferenceRager,Phytochem.,54,(2000),427