trehalose-cis-keto-di-mycolate
Chemical Formula:
C184H354O17
Molecular Weight:
2838.81 Daltons
Monoisotopic Mass:
2836.6836099391003 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3))O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC4(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)4)
InChI:
1S/C184H354O17/c1-7-11-15-19-23-27-31-35-39-43-45-47-49-51-57-65-79-91-103-115-127-139-151-167(171(187)155-143-131-119-107-95-83-67-59-53-55-63-75-87-99-111-123-135-147-163-157-165(163)149-137-125-113-101-89-77-69-71-81-93-105-117-129-141-153-169(185)161(5)145-133-121-109-97-85-73-61-41-37-33-29-25-21-17-13-9-3)181(195)197-159-173-175(189)177(191)179(193)183(199-173)201-184-180(194)178(192)176(190)174(200-184)160-198-182(196)168(152-140-128-116-104-92-80-66-58-52-50-48-46-44-40-36-32-28-24-20-16-12-8-2)172(188)156-144-132-120-108-96-84-68-60-54-56-64-76-88-100-112-124-136-148-164-158-166(164)150-138-126-114-102-90-78-70-72-82-94-106-118-130-142-154-170(186)162(6)146-134-122-110-98-86-74-62-42-38-34-30-26-22-18-14-10-4/h161-168,171-180,183-184,187-194H,7-160H2,1-6H3/t161?,162?,163?,164?,165?,166?,167?,168?,171-,172-,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-854
PubChem (CID):
90657129
Seed:
cpd26595
MetaNetX:
MNXM22160